N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C29H27N7O4S — CID 25069931

IUPACN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)cs3)CC2)nc(OC)n1
InChIInChI=1S/C29H27N7O4S/c1-39-24-15-23(33-29(34-24)40-2)36-12-10-18(11-13-36)27-30-22(16-41-27)26(38)35-28-31-20-9-8-19(14-21(20)32-28)25(37)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,31,32,35,38)
InChIKeyMCFGZDVJCFTFNA-UHFFFAOYSA-N
MW569.65 g/mol
LogP4.69
Rot. Bonds8

About N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 25069931) has the molecular formula C29H27N7O4S and a molecular weight of 569.65 g/mol. Its IUPAC name is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID25069931
Molecular FormulaC29H27N7O4S
Molecular Weight569.65 g/mol
Exact Mass569.18
IUPAC NameN-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)cs3)CC2)nc(OC)n1
InChIInChI=1S/C29H27N7O4S/c1-39-24-15-23(33-29(34-24)40-2)36-12-10-18(11-13-36)27-30-22(16-41-27)26(38)35-28-31-20-9-8-19(14-21(20)32-28)25(37)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,31,32,35,38)
InChIKeyMCFGZDVJCFTFNA-UHFFFAOYSA-N
XLogP4.69
TPSA135.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.65
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-benzoyl-1H-benzimidazol-2-yl)-2-(1-thieno(3,2-d)pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 23661638
2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 25069929
2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 25069930
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(7H-purin-6-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070571
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070574
N-(6-Benzoyl-1H-benzimidazol-2-yl)-2-[1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]-4-thiazolecarboxamide
CID 25070901
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070902
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 44433805
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 44433807
N-[6-(cyclohexa-1,3-diene-1-carbonyl)-1H-benzimidazol-2-yl]-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 162553287
2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 25069928
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-[(2,6-dichloro-4-pyridinyl)carbamoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 25070572

Frequently Asked Questions

What is the IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 25069931) is N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1cc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)cs3)CC2)nc(OC)n1.
What is the InChIKey of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is MCFGZDVJCFTFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O4S/c1-39-24-15-23(33-29(34-24)40-2)36-12-10-18(11-13-36)27-30-22(16-41-27)26(38)35-28-31-20-9-8-19(14-21(20)32-28)25(37)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3,(H2,31,32,35,38).
What are the key properties of N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 569.65 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzoyl-1H-benzimidazol-2-yl)-2-[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25069931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).