N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C32H33N3O3S — CID 59209189

IUPACN-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2ccccc2)c(NC(=O)c2csc(C3CCN(C(=O)C(C)Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C32H33N3O3S/c1-22(19-23-9-5-3-6-10-23)32(37)35-17-15-25(16-18-35)31-34-29(21-39-31)30(36)33-28-20-26(38-2)13-14-27(28)24-11-7-4-8-12-24/h3-14,20-22,25H,15-19H2,1-2H3,(H,33,36)
InChIKeyRMTYJEJMIMTAML-UHFFFAOYSA-N
MW539.70 g/mol
LogP6.66
Rot. Bonds8

About N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59209189) has the molecular formula C32H33N3O3S and a molecular weight of 539.70 g/mol. Its IUPAC name is N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59209189
Molecular FormulaC32H33N3O3S
Molecular Weight539.70 g/mol
Exact Mass539.22
IUPAC NameN-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2ccccc2)c(NC(=O)c2csc(C3CCN(C(=O)C(C)Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C32H33N3O3S/c1-22(19-23-9-5-3-6-10-23)32(37)35-17-15-25(16-18-35)31-34-29(21-39-31)30(36)33-28-20-26(38-2)13-14-27(28)24-11-7-4-8-12-24/h3-14,20-22,25H,15-19H2,1-2H3,(H,33,36)
InChIKeyRMTYJEJMIMTAML-UHFFFAOYSA-N
XLogP6.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.70
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methylbutylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59208650
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209553
2-(1-hex-4-enoylpiperidin-4-yl)-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 72531405
2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210058
N-(5-methoxy-2-phenylphenyl)-2-(1-pentylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59209312
N-(2-tert-butylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59210295
2-[1-[3-(furan-2-yl)propanoyl]piperidin-4-yl]-N-(5-methoxy-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59210252
methyl (3R)-3-methyl-4-[4-[4-[(4-methyl-2-phenylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobutanoate
CID 59209024
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 142983094
2-[1-(methoxymethylcarbamothioyl)piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209245
N-(5-methoxy-2-phenylphenyl)-2-[2-(4-oxopentanoyl)spiro[2.6]nonan-7-yl]-1,3-thiazole-4-carboxamide
CID 142982577
methyl 4-[4-[4-[(2-tert-butylphenyl)carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-methyl-4-oxobutanoate
CID 59208780

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59209189) is N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2ccccc2)c(NC(=O)c2csc(C3CCN(C(=O)C(C)Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RMTYJEJMIMTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3S/c1-22(19-23-9-5-3-6-10-23)32(37)35-17-15-25(16-18-35)31-34-29(21-39-31)30(36)33-28-20-26(38-2)13-14-27(28)24-11-7-4-8-12-24/h3-14,20-22,25H,15-19H2,1-2H3,(H,33,36).
What are the key properties of N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 539.70 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-phenylphenyl)-2-[1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).