Basic information
- CAS
603107-76-2- Standard SMILES
Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F- InChIKey
YUCYMQBDBXVNCE-UHFFFAOYSA-N- Molecular formula
- C14H12FN5OS2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.04673053
Names & identifiers
- Preferred name
- 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
- IUPAC
- 2-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)benzamide
- English name
- 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide
- Molecular formula
- C14H12FN5OS2
- Molecular weight
- 349.41
Names & synonyms
2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDEDTXSID203322942-AMINO-4-FLUORO-5-((1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL)-N-(1,3-THIAZOL-2-YL)BENZAMIDERefChem:464290DTXCID10283387889-405-9603107-76-22-Amino-4-fluoro-5-((1-methyl-1H-imidazol-2-yl)thio)-N-(thiazol-2-yl)benzamide2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide2-amino-4-fluoro-5-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)benzamidebenzamide derivative, 6CHEMBL608393
Show more names
2-amino-4-fluoro-5-[(1-methyl-2-imidazolyl)thio]-N-(2-thiazolyl)benzamide2-Amino-4-fluoro-5-(1-methyl-1H-imidazol-2-yl-sulfanyl)-N-thiazol-2-benzamideBenzamide, 2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-2-thiazolyl-2-Amino-4-Fluoro-5-(1-Methyl-1h-Imidazol-2-Yisulfanyl)-N-Thiazol-2-Yl-Benzamide
SCHEMBL2642297BDBM34071HMS3754M19EBC-08774AKOS025402464AC-9495DB08210PD004641
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.57 · 1.57
- pka
- 7.54 · 7.54±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H332-H302-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H332-H302-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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