N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide

C29H33N3O2S — CID 76552217

IUPACN-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)C1CCCCN1C(=O)CC1CCCC1
InChIInChI=1S/C29H33N3O2S/c33-26(20-22-13-7-8-14-22)32-18-10-9-17-24(32)28(34)31-29-30-27(23-15-5-2-6-16-23)25(35-29)19-21-11-3-1-4-12-21/h1-6,11-12,15-16,22,24H,7-10,13-14,17-20H2,(H,30,31,34)
InChIKeyJRJUZERNBVFVCO-UHFFFAOYSA-N
MW487.67 g/mol
LogP6.30
Rot. Bonds7

About N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide

N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide (PubChem CID 76552217) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide
PubChem CID76552217
Molecular FormulaC29H33N3O2S
Molecular Weight487.67 g/mol
Exact Mass487.23
IUPAC NameN-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)C1CCCCN1C(=O)CC1CCCC1
InChIInChI=1S/C29H33N3O2S/c33-26(20-22-13-7-8-14-22)32-18-10-9-17-24(32)28(34)31-29-30-27(23-15-5-2-6-16-23)25(35-29)19-21-11-3-1-4-12-21/h1-6,11-12,15-16,22,24H,7-10,13-14,17-20H2,(H,30,31,34)
InChIKeyJRJUZERNBVFVCO-UHFFFAOYSA-N
XLogP6.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-N-tert-butylpyrrolidine-1,2-dicarboxamide
CID 87370718
(2R)-2-N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-N-(2-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 87377334
(2S)-N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(1H-indol-2-yl)pyrrolidine-2-carboxamide
CID 141255924
methyl 4-(4-formylphenyl)-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 89108183
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-butanoylpyrrolidine-2-carboxamide
CID 112845098
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
(2S)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 87395330
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
CID 47259825
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
methyl 2-[2-[(3-aminocyclohexanecarbonyl)amino]-4-phenyl-1,3-thiazol-5-yl]acetate
CID 119750693
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide?
The IUPAC name of N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide (CID 76552217) is N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide?
The canonical SMILES for N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)c(Cc2ccccc2)s1)C1CCCCN1C(=O)CC1CCCC1.
What is the InChIKey of N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide?
The InChIKey is JRJUZERNBVFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c33-26(20-22-13-7-8-14-22)32-18-10-9-17-24(32)28(34)31-29-30-27(23-15-5-2-6-16-23)25(35-29)19-21-11-3-1-4-12-21/h1-6,11-12,15-16,22,24H,7-10,13-14,17-20H2,(H,30,31,34).
What are the key properties of N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide?
N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-1-(2-cyclopentylacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 76552217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).