2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide

C30H35N3O2S — CID 59209017

IUPAC2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2ccccc2NC(=O)c2csc(C3CCN(C(=O)CCC4CCCC4)CC3)n2)cc1
InChIInChI=1S/C30H35N3O2S/c1-21-10-13-23(14-11-21)25-8-4-5-9-26(25)31-29(35)27-20-36-30(32-27)24-16-18-33(19-17-24)28(34)15-12-22-6-2-3-7-22/h4-5,8-11,13-14,20,22,24H,2-3,6-7,12,15-19H2,1H3,(H,31,35)
InChIKeyOJQJZFNNBIJSCS-UHFFFAOYSA-N
MW501.70 g/mol
LogP7.05
Rot. Bonds7

About 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide

2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59209017) has the molecular formula C30H35N3O2S and a molecular weight of 501.70 g/mol. Its IUPAC name is 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59209017
Molecular FormulaC30H35N3O2S
Molecular Weight501.70 g/mol
Exact Mass501.24
IUPAC Name2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2ccccc2NC(=O)c2csc(C3CCN(C(=O)CCC4CCCC4)CC3)n2)cc1
InChIInChI=1S/C30H35N3O2S/c1-21-10-13-23(14-11-21)25-8-4-5-9-26(25)31-29(35)27-20-36-30(32-27)24-16-18-33(19-17-24)28(34)15-12-22-6-2-3-7-22/h4-5,8-11,13-14,20,22,24H,2-3,6-7,12,15-19H2,1H3,(H,31,35)
InChIKeyOJQJZFNNBIJSCS-UHFFFAOYSA-N
XLogP7.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.70
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026014
2-[1-[3-(2,3-dihydrothiophen-2-yl)propanoyl]piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 70908044
2-(1-hex-5-enoylpiperidin-4-yl)-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209919
2-(1-hexanoylpiperidin-4-yl)-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 71025983
N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 142983144
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
N-[2-(4-fluorophenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209865
methyl 2-[[4-[4-[[2-(4-methylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]acetate
CID 142982607
N-[2-(4-ethylphenyl)phenyl]-2-[1-[4-(methylamino)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209045
methyl N-[3-[4-[4-[[2-(4-methylphenyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-oxopropyl]-N-prop-1-en-2-ylcarbamodithioate
CID 142982944
N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209105
2-[1-(3-acetamidopropanoyl)piperidin-4-yl]-N-(4-methyl-2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 59209887

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide (CID 59209017) is 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2ccccc2NC(=O)c2csc(C3CCN(C(=O)CCC4CCCC4)CC3)n2)cc1.
What is the InChIKey of 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OJQJZFNNBIJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2S/c1-21-10-13-23(14-11-21)25-8-4-5-9-26(25)31-29(35)27-20-36-30(32-27)24-16-18-33(19-17-24)28(34)15-12-22-6-2-3-7-22/h4-5,8-11,13-14,20,22,24H,2-3,6-7,12,15-19H2,1H3,(H,31,35).
What are the key properties of 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide?
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 501.70 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).