Basic information
- CAS
100959-91-9- Standard SMILES
Cc1nc(C(N)=O)cs1- InChIKey
JFBXSNFENTXBSX-UHFFFAOYSA-N- Molecular formula
- C5H6N2OS
- Average molar mass
- 142.18 g/mol
- Monoisotopic mass
- 142.02008399
Names & identifiers
- Preferred name
- 2-Methyl-1,3-thiazole-4-carboxylic acid amide
- IUPAC
- 2-methyl-1,3-thiazole-4-carboxamide
- English name
- 2-Methyl-1,3-thiazole-4-carboxamide
- Molecular formula
- C5H6N2O2
- Molecular weight
- 126.11
Names & synonyms
2-METHYL-1,3-THIAZOLE-4-CARBOXYLIC ACID AMIDERefChem:474792805-492-8100959-91-92-methylthiazole-4-carboxamide31825-95-32-Methyl-1,3-thiazole-4-carboxamideMFCD00221183SCHEMBL1723196SCHEMBL1723199DTXSID40953743SBB086245
Show more names
4-Oxazolecarboxamide, 2-methyl-
AKOS005256921PS-4653AC-30485SY0966302-Methyl-1,3-thiazole-4-carboximidic acidDB-006185CS-0062460F19208
Database identifiers
- CAS
100959-91-9、31825-95-3- PubChem CID
- 7019409
- DTXSID
DTXSID40953743- EC Number
- 805-492-8
- Nikkaji
- J1.495.665D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 312.4 · 312.4±15.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.79 · 14.79±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Methylthiazole-4-carboxamide is a useful reactant for the synthesis of bisthiazole-based histone deacetylase inhibitors.
Suppliers30 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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