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

C24H27N7O3S — CID 42605752

IUPAC4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Oc1cccc2c1n(C)c(=O)n2-c1csc(C(=O)Nc2cnccc2N2CCNCC2)n1
InChIInChI=1S/C24H27N7O3S/c1-15(2)34-19-6-4-5-18-21(19)29(3)24(33)31(18)20-14-35-23(28-20)22(32)27-16-13-26-8-7-17(16)30-11-9-25-10-12-30/h4-8,13-15,25H,9-12H2,1-3H3,(H,27,32)
InChIKeyIFDQMJHHCBBANJ-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.63
Rot. Bonds6

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

4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide (PubChem CID 42605752) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
PubChem CID42605752
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC Name4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Oc1cccc2c1n(C)c(=O)n2-c1csc(C(=O)Nc2cnccc2N2CCNCC2)n1
InChIInChI=1S/C24H27N7O3S/c1-15(2)34-19-6-4-5-18-21(19)29(3)24(33)31(18)20-14-35-23(28-20)22(32)27-16-13-26-8-7-17(16)30-11-9-25-10-12-30/h4-8,13-15,25H,9-12H2,1-3H3,(H,27,32)
InChIKeyIFDQMJHHCBBANJ-UHFFFAOYSA-N
XLogP2.63
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide (CID 42605752) is 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide is CC(C)Oc1cccc2c1n(C)c(=O)n2-c1csc(C(=O)Nc2cnccc2N2CCNCC2)n1.
What is the InChIKey of 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide?
The InChIKey is IFDQMJHHCBBANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-15(2)34-19-6-4-5-18-21(19)29(3)24(33)31(18)20-14-35-23(28-20)22(32)27-16-13-26-8-7-17(16)30-11-9-25-10-12-30/h4-8,13-15,25H,9-12H2,1-3H3,(H,27,32).
What are the key properties of 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide?
4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxo-4-propan-2-yloxybenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 42605752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).