N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C16H18N2OS — CID 110647439

IUPACN-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCC2)c(-c2ccccc2)s1
InChIInChI=1S/C16H18N2OS/c1-11-17-14(16(19)18-13-9-5-6-10-13)15(20-11)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyXDDXNJXSXIKSMZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.79
Rot. Bonds3

About N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 110647439) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID110647439
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCCC2)c(-c2ccccc2)s1
InChIInChI=1S/C16H18N2OS/c1-11-17-14(16(19)18-13-9-5-6-10-13)15(20-11)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyXDDXNJXSXIKSMZ-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 155963732
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
N-cycloheptyl-2-methylquinazoline-4-carboxamide
CID 110702850
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
2-methyl-5-phenyl-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-1,3-thiazole-4-carboxamide
CID 43854828
N-cyclohexyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162654572
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 110647439) is N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCCC2)c(-c2ccccc2)s1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XDDXNJXSXIKSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-17-14(16(19)18-13-9-5-6-10-13)15(20-11)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110647439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).