N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

C12H10N4OS — CID 2079789

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1csc(NC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-18-12(15-7)16-11(17)8-2-3-9-10(4-8)14-6-13-9/h2-6H,1H3,(H,13,14)(H,15,16,17)
InChIKeyTZFAAIKGWLSVGY-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.58
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 2079789) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID2079789
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCc1csc(NC(=O)c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H10N4OS/c1-7-5-18-12(15-7)16-11(17)8-2-3-9-10(4-8)14-6-13-9/h2-6H,1H3,(H,13,14)(H,15,16,17)
InChIKeyTZFAAIKGWLSVGY-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 2079789) is N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is Cc1csc(NC(=O)c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is TZFAAIKGWLSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-7-5-18-12(15-7)16-11(17)8-2-3-9-10(4-8)14-6-13-9/h2-6H,1H3,(H,13,14)(H,15,16,17).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2079789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).