N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide

C19H17N5OS — CID 117083706

IUPACN-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCn1c(Nc2nc(C(=O)NCc3ccccc3)cs2)nc2ccccc21
InChIInChI=1S/C19H17N5OS/c1-24-16-10-6-5-9-14(16)21-18(24)23-19-22-15(12-26-19)17(25)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyOXMUNHJQGKMCCK-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide

N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 117083706) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
PubChem CID117083706
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide
SMILESCn1c(Nc2nc(C(=O)NCc3ccccc3)cs2)nc2ccccc21
InChIInChI=1S/C19H17N5OS/c1-24-16-10-6-5-9-14(16)21-18(24)23-19-22-15(12-26-19)17(25)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyOXMUNHJQGKMCCK-UHFFFAOYSA-N
XLogP3.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-methylbenzimidazol-2-yl)amino]-N-propyl-1,3-thiazole-4-carboxamide
CID 117092851
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 137484229
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117084576
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
N-[(4-phenylmethoxyphenyl)methyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506073
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
CID 3983544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide (CID 117083706) is N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide is Cn1c(Nc2nc(C(=O)NCc3ccccc3)cs2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is OXMUNHJQGKMCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-24-16-10-6-5-9-14(16)21-18(24)23-19-22-15(12-26-19)17(25)20-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117083706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).