4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide

C23H25N3O3S2 — CID 27668000

IUPAC4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C23H25N3O3S2/c1-16-11-12-19(31(28,29)26-13-7-4-8-14-26)15-20(16)25-22(27)21-17(2)24-23(30-21)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,27)
InChIKeyBFFOIKFAVQMYED-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.85
Rot. Bonds5

About 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 27668000) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID27668000
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C23H25N3O3S2/c1-16-11-12-19(31(28,29)26-13-7-4-8-14-26)15-20(16)25-22(27)21-17(2)24-23(30-21)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,27)
InChIKeyBFFOIKFAVQMYED-UHFFFAOYSA-N
XLogP4.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 27668010
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27672714
4-methyl-2-phenyl-N'-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 25440191
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 27668000) is 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is BFFOIKFAVQMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-16-11-12-19(31(28,29)26-13-7-4-8-14-26)15-20(16)25-22(27)21-17(2)24-23(30-21)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27668000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).