3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Basic information
- CAS
618073-60-2- Standard SMILES
C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S- InChIKey
QQXHSPHUXNQPMV-UHFFFAOYSA-N- Molecular formula
- C14H15N3OS2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.06565446
Names & identifiers
- Preferred name
- 3-Allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
- IUPAC
- 4-amino-N-(4-methylphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
- English name
- SALOR-INT L428396-1EA
- Molecular formula
- C14H15N3OS2
- Molecular weight
- 305.42
Names & synonyms
3-allyl-4-amino-N-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide618073-60-2RefChem:496623645-711-2MLS000535260CHEMBL1418528HMS2350L17STK877262AKOS0003488794-amino-N-(4-methylphenyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamideSMR000142697EU-0016250
Show more names
SALOR-INT L428396-1EA5-Thiazolecarboxamide, 4-amino-2,3-dihydro-N-(4-methylphenyl)-3-(2-propen-1-yl)-2-thioxo-
Z577841714-amino-N-(4-methylphenyl)-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide4-amino-N-(4-methylphenyl)-3-(prop-2-en-1-yl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
Database identifiers
- CAS
618073-60-2- PubChem CID
- 752653
- ChEMBL
CHEMBL1418528- EC Number
- 645-711-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 39 reports by companies from 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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