Basic information
- CAS
30235-28-0- Standard SMILES
Nc1nc(-c2ccncc2)cs1- InChIKey
CUSJGENRTWNHPV-UHFFFAOYSA-N- Molecular formula
- C8H7N3S
- Average molar mass
- 177.23 g/mol
- Monoisotopic mass
- 177.03606841
Names & identifiers
- Preferred name
- 4-(Pyridin-4-yl)-1,3-thiazol-2-amine
- IUPAC
- 4-pyridin-4-yl-1,3-thiazol-2-amine
- English name
- 4-PYRIDIN-4-YL-THIAZOL-2-YLAMINE
- Molecular formula
- C8H7N3S
- Molecular weight
- 177.23
Names & synonyms
4-(pyridin-4-yl)-1,3-thiazol-2-amineRefChem:516845673-119-430235-28-04-(pyridin-4-yl)thiazol-2-amine4-Pyridin-4-yl-thiazol-2-ylamine2-Amino-4-(4-pyridyl)thiazole4-pyridin-4-yl-1,3-thiazol-2-amine2-Thiazolamine, 4-(4-pyridinyl)-2-amino-4-(4-pyridyl)-ThiazoleMFCD004900094-(4-pyridinyl)-1,3-thiazol-2-amine
Show more names
BUTTPARK 37\12-54IFLAB-BB F0537-09694-(4-pyridyl)thiazol-2-amine4-(4-pyridyl)-2-thiazolamine4-pyridin-4-yl-2-thiazolamine[4-(4-pyridyl)thiazol-2-yl]amine
2-Amino-4-(pyridin-4-yl)-1,3-thiazoleF0537-09694-(4-pyridyl)-1,3-thiazole-2-ylamine4-(4-pyridinyl)-2-thiazolamine4-(4-pyridinyl)-1,3-thiazol-2-ylamineOprea1_274147SCHEMBL130198CHEMBL500685
Database identifiers
- CAS
30235-28-0- PubChem CID
- 930237
- DTXSID
DTXSID00358992- ChEMBL
CHEMBL500685- EC Number
- 673-119-4
- Nikkaji
- J2.327.394B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 270 · 270-272 °C
- Boiling point
- 378.9 · 378.9±17.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml; Ethanol: 0.14 mg/ml
- form
- A crystalline solid
- pka
- 2.89 · 2.89±0.10(Predicted)
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H7N3S/c9-8-11-7(5-12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11)
- InChIKey
- CUSJGENRTWNHPV-UHFFFAOYSA-N
- SMILES
- Nc1nc(cs1)-c2ccncc2
- CAS DataBase Reference
- 30235 · 30235-28-0(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934100090
- risk_code
- 36/37/38-41-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-PYRIDIN-4-YL-THIAZOL-2-YLAMINE is a synthetic intermediate useful for pharmaceutical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers80 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安特希（苏州）生物科技有限公司19951207836 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
3 records
Compound notes
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