2-Acetamido-4-methylthiazole
Basic information
- CAS
7336-51-8- Standard SMILES
CC(=O)Nc1nc(C)cs1- InChIKey
DPDJXTANWGNJOE-UHFFFAOYSA-N- Molecular formula
- C6H8N2OS
- Average molar mass
- 156.21 g/mol
- Monoisotopic mass
- 156.03573406
Overview
N1-(4-methyl-1,3-thiazol-2-yl)acetamide is a member of thiazoles.
Names & identifiers
- Preferred name
- 2-Acetamido-4-methylthiazole
- IUPAC
- N-(4-methyl-1,3-thiazol-2-yl)acetamide
- English name
- 2-Acetamido-4-methylthiazole
- Molecular formula
- C6H8N2OS
- Molecular weight
- 156.21
Names & synonyms
2-Acetamido-4-methylthiazoleRefChem:462745628-103-17336-51-8N-(4-Methylthiazol-2-yl)acetamideN-(4-Methyl-1,3-thiazol-2-yl)acetamideN-(4-methyl-2-thiazolyl)acetamideMFCD00011561acetamide, n-(4-methyl-2-thiazolyl)-NA inhibitor, 1NSC133181TimTec1_001740
Show more names
NSC 133181TIMTEC-BB SBB0001252-(Acetylamino)-4-methylthiazole2-AcetaMido-4-Methylthiazole 98%Acetamide,N-(4-methyl-2-thiazolyl)-
SCHEMBL48394MLS0010056342-Acetamido-4-methyl-thiazolCHEMBL71189SCHEMBL393631SCHEMBL664795SCHEMBL5630056DTXSID70299843
Database identifiers
- CAS
7336-51-8- PubChem CID
- 280907
- DTXSID
DTXSID70299843- ChEMBL
CHEMBL71189- ChEBI
CHEBI:195019- EC Number
- 628-103-1
- Nikkaji
- J265.570E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Solubility>23.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 134 · 134-136 °C (lit.)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 9.7 · 9.70±0.50(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)
- InChIKey
- DPDJXTANWGNJOE-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1nc(C)cs1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Acetamido-4-methylthiazole, is a benzothiazinone analog, which is shown to be the xanthine oxidase inhibitor.
General DescriptionThe metabolism of 2-acetamido-4-methylthiazole in rat has been studied. Sulfonation of 2-acetamido-4-methylthiazole by chlorosulfonic acid has been reported.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: N1-(4-methyl-1,3-thiazol-2-yl)acetamide is a member of thiazoles.
Related reactions
31 records
Compound notes
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