ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
Basic information
- CAS
878082-16-7- Standard SMILES
CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C- InChIKey
ZPNHAQUPNYGNHA-UHFFFAOYSA-N- Molecular formula
- C15H14N4O3S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.07866149
Names & identifiers
- Preferred name
- ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
Names & synonyms
MLS001173978ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylateSMR000595705CHEMBL1484644BDBM76722cid_9110686DTXSID401323021HMS2896O11AKOS034132407878082-16-7Z303868712-(3H-benzimidazole-5-carbonylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester
Show more names
2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl esterethyl 2-(3H-benzimidazol-5-ylcarbonylamino)-4-methyl-1,3-thiazole-5-carboxylateEthyl 2-[(1H-benzimidazole-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
878082-16-7- PubChem CID
- 9110686
- DTXSID
DTXSID401323021- ChEMBL
CHEMBL1484644
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 464
Experimental & physicochemical properties
Solubility3.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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