2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C22H23N7O3S — CID 24954819

IUPAC2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1
InChIInChI=1S/C22H23N7O3S/c1-27-19-11-14(32-2)3-4-18(19)29(22(27)31)21-26-16(13-33-21)20(30)25-15-12-24-6-5-17(15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,30)
InChIKeyBMBQMKOJOUXABT-UHFFFAOYSA-N
MW465.54 g/mol
LogP1.85
Rot. Bonds5

About 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 24954819) has the molecular formula C22H23N7O3S and a molecular weight of 465.54 g/mol. Its IUPAC name is 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID24954819
Molecular FormulaC22H23N7O3S
Molecular Weight465.54 g/mol
Exact Mass465.16
IUPAC Name2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1
InChIInChI=1S/C22H23N7O3S/c1-27-19-11-14(32-2)3-4-18(19)29(22(27)31)21-26-16(13-33-21)20(30)25-15-12-24-6-5-17(15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,30)
InChIKeyBMBQMKOJOUXABT-UHFFFAOYSA-N
XLogP1.85
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
CID 24951610
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332270
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 51002931
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-4-ium-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78225445
1-[2-[4-[4-(6-methoxy-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 71677964
N-(pyridin-2-ylmethyl)-2-((4-(trifluoromethoxy)phenyl)amino)thiazole-4-carboxamide
CID 16955225
2-((4-(difluoromethoxy)phenyl)amino)-N-(pyridin-2-ylmethyl)thiazole-4-carboxamide
CID 30860195
N-[4-(difluoromethoxy)phenyl]-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine
CID 30860218
(2-((4-(Difluoromethoxy)phenyl)amino)thiazol-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 30860220
N-(3,4-dimethoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 177657561
2-[4-(3-Methoxyphenyl)piperazin-1-YL]-N-[(pyridin-3-YL)methyl]-1,3-thiazole-4-carboxamide
CID 53200936
2-[4-(3-Methoxyphenyl)piperazin-1-YL]-N-[(pyridin-4-YL)methyl]-1,3-thiazole-4-carboxamide
CID 53200937

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 24954819) is 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc2c(c1)n(C)c(=O)n2-c1nc(C(=O)Nc2cnccc2N2CCNCC2)cs1.
What is the InChIKey of 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BMBQMKOJOUXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3S/c1-27-19-11-14(32-2)3-4-18(19)29(22(27)31)21-26-16(13-33-21)20(30)25-15-12-24-6-5-17(15)28-9-7-23-8-10-28/h3-6,11-13,23H,7-10H2,1-2H3,(H,25,30).
What are the key properties of 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24954819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).