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

C17H13N5OS — CID 54582988

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cccc3[nH]c(-c4cccnc4)nc23)n1
InChIInChI=1S/C17H13N5OS/c1-10-9-24-17(19-10)22-16(23)12-5-2-6-13-14(12)21-15(20-13)11-4-3-7-18-8-11/h2-9H,1H3,(H,20,21)(H,19,22,23)
InChIKeyZXWCJXAWLXXBDD-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.64
Rot. Bonds3

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

N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 54582988) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID54582988
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCc1csc(NC(=O)c2cccc3[nH]c(-c4cccnc4)nc23)n1
InChIInChI=1S/C17H13N5OS/c1-10-9-24-17(19-10)22-16(23)12-5-2-6-13-14(12)21-15(20-13)11-4-3-7-18-8-11/h2-9H,1H3,(H,20,21)(H,19,22,23)
InChIKeyZXWCJXAWLXXBDD-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 54582988) is N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide is Cc1csc(NC(=O)c2cccc3[nH]c(-c4cccnc4)nc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is ZXWCJXAWLXXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-10-9-24-17(19-10)22-16(23)12-5-2-6-13-14(12)21-15(20-13)11-4-3-7-18-8-11/h2-9H,1H3,(H,20,21)(H,19,22,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 54582988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).