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

C13H12N4OS — CID 110700966

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cccc3[nH]cnc23)sc1C
InChIInChI=1S/C13H12N4OS/c1-7-8(2)19-13(16-7)17-12(18)9-4-3-5-10-11(9)15-6-14-10/h3-6H,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyGCCBUXOROKEOGW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.89
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 110700966) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID110700966
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cccc3[nH]cnc23)sc1C
InChIInChI=1S/C13H12N4OS/c1-7-8(2)19-13(16-7)17-12(18)9-4-3-5-10-11(9)15-6-14-10/h3-6H,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyGCCBUXOROKEOGW-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylsulfanylbenzamide
CID 47098613
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-benzodioxole-4-carboxamide
CID 110699526
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(5-hydroxy-2-methylanilino)quinoline-8-carboxamide
CID 118339831
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)-2-nitrobenzamide
CID 115548885
2-(difluoromethylsulfanyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18128699
N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
2-(difluoromethoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 51151057
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 81226435

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 110700966) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is Cc1nc(NC(=O)c2cccc3[nH]cnc23)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GCCBUXOROKEOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-8(2)19-13(16-7)17-12(18)9-4-3-5-10-11(9)15-6-14-10/h3-6H,1-2H3,(H,14,15)(H,16,17,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 110700966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).