N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide

C24H26N6OS — CID 117085648

IUPACN-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCn1c(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)nc2ccccc21
InChIInChI=1S/C24H26N6OS/c1-29-20-10-6-5-9-19(20)27-23(29)28-24-25-15-21(32-24)22(31)26-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,31)(H,25,27,28)
InChIKeyCNUMMYHBOCYYDR-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.17
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 117085648) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
PubChem CID117085648
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
SMILESCn1c(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)nc2ccccc21
InChIInChI=1S/C24H26N6OS/c1-29-20-10-6-5-9-19(20)27-23(29)28-24-25-15-21(32-24)22(31)26-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,31)(H,25,27,28)
InChIKeyCNUMMYHBOCYYDR-UHFFFAOYSA-N
XLogP4.17
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)anilino]-1,3-thiazole-5-carboxamide
CID 117083185
2-[(1-benzylpiperidin-4-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 117087880
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117092091
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
methyl 3-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-1,3-thiazol-2-yl]benzoate
CID 142738884
N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
N-(1-benzylpiperidin-4-yl)-2-(cyclohexylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365626
6-N-(1-benzylpiperidin-4-yl)-8-N-(1-methylbenzimidazol-2-yl)-7H-purine-6,8-diamine
CID 117094563

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide (CID 117085648) is N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide is Cn1c(Nc2ncc(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)nc2ccccc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is CNUMMYHBOCYYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-29-20-10-6-5-9-19(20)27-23(29)28-24-25-15-21(32-24)22(31)26-18-11-13-30(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,31)(H,25,27,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).