N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C18H14N4OS — CID 27649612

IUPACN-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc4ccccc4[nH]3)cs2)cc1
InChIInChI=1S/C18H14N4OS/c1-11-6-8-12(9-7-11)17-19-15(10-24-17)16(23)22-18-20-13-4-2-3-5-14(13)21-18/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyRXFWMNOSTCKXSS-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.25
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 27649612) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID27649612
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3nc4ccccc4[nH]3)cs2)cc1
InChIInChI=1S/C18H14N4OS/c1-11-6-8-12(9-7-11)17-19-15(10-24-17)16(23)22-18-20-13-4-2-3-5-14(13)21-18/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyRXFWMNOSTCKXSS-UHFFFAOYSA-N
XLogP4.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-quinolin-3-yl-1,3-thiazole-4-carboxamide
CID 22830902
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
ethyl 2-[[2-(2,3-dihydro-1H-indol-5-yl)-1,3-thiazole-4-carbonyl]amino]-3H-benzimidazole-5-carboxylate
CID 123929179
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
N-(2-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9455109
N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide
CID 86689618
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 27649612) is N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3nc4ccccc4[nH]3)cs2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RXFWMNOSTCKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-6-8-12(9-7-11)17-19-15(10-24-17)16(23)22-18-20-13-4-2-3-5-14(13)21-18/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27649612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).