N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H14N4OS2 — CID 51237481

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4OS2/c1-10-15(24-17(19-10)11-6-7-23-9-11)16(22)18-8-14-20-12-4-2-3-5-13(12)21-14/h2-7,9H,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyNXCWGGBBVRXNJL-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.99
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 51237481) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID51237481
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H14N4OS2/c1-10-15(24-17(19-10)11-6-7-23-9-11)16(22)18-8-14-20-12-4-2-3-5-13(12)21-14/h2-7,9H,8H2,1H3,(H,18,22)(H,20,21)
InChIKeyNXCWGGBBVRXNJL-UHFFFAOYSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24503890
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56524507
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-N-(3-phenoxypropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55431404
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-5-ethylthiophene-2-carboxamide
CID 51205056
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 51237481) is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NXCWGGBBVRXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-10-15(24-17(19-10)11-6-7-23-9-11)16(22)18-8-14-20-12-4-2-3-5-13(12)21-14/h2-7,9H,8H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51237481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).