2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C26H24N8O2S — CID 59332151

IUPAC2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccc(-c3cccnc3)c21
InChIInChI=1S/C26H24N8O2S/c1-32-23-18(17-4-3-8-28-14-17)5-2-6-22(23)34(26(32)36)25-31-20(16-37-25)24(35)30-19-15-29-9-7-21(19)33-12-10-27-11-13-33/h2-9,14-16,27H,10-13H2,1H3,(H,30,35)
InChIKeyRPCIXKDRALJOKG-UHFFFAOYSA-N
MW512.60 g/mol
LogP2.90
Rot. Bonds5

About 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332151) has the molecular formula C26H24N8O2S and a molecular weight of 512.60 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID59332151
Molecular FormulaC26H24N8O2S
Molecular Weight512.60 g/mol
Exact Mass512.17
IUPAC Name2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccc(-c3cccnc3)c21
InChIInChI=1S/C26H24N8O2S/c1-32-23-18(17-4-3-8-28-14-17)5-2-6-22(23)34(26(32)36)25-31-20(16-37-25)24(35)30-19-15-29-9-7-21(19)33-12-10-27-11-13-33/h2-9,14-16,27H,10-13H2,1H3,(H,30,35)
InChIKeyRPCIXKDRALJOKG-UHFFFAOYSA-N
XLogP2.90
TPSA109.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 59332151) is 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cn1c(=O)n(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c2cccc(-c3cccnc3)c21.
What is the InChIKey of 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RPCIXKDRALJOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2S/c1-32-23-18(17-4-3-8-28-14-17)5-2-6-22(23)34(26(32)36)25-31-20(16-37-25)24(35)30-19-15-29-9-7-21(19)33-12-10-27-11-13-33/h2-9,14-16,27H,10-13H2,1H3,(H,30,35).
What are the key properties of 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 512.60 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-4-pyridin-3-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).