N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H22N2OS — CID 18227661

IUPACN-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1
InChIInChI=1S/C18H22N2OS/c1-3-13-8-10-14(11-9-13)18-19-12(2)16(22-18)17(21)20-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,20,21)
InChIKeyFZYGGAOCHQUTOB-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.35
Rot. Bonds4

About N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 18227661) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID18227661
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1
InChIInChI=1S/C18H22N2OS/c1-3-13-8-10-14(11-9-13)18-19-12(2)16(22-18)17(21)20-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,20,21)
InChIKeyFZYGGAOCHQUTOB-UHFFFAOYSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
N-[(1R,2R,4R)-4-amino-2-hydroxycyclopentyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 166314029
4-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229216
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-(4-fluorophenyl)-4-methyl-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 86961131

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 18227661) is N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)NC3CCCC3)s2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FZYGGAOCHQUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-3-13-8-10-14(11-9-13)18-19-12(2)16(22-18)17(21)20-15-6-4-5-7-15/h8-11,15H,3-7H2,1-2H3,(H,20,21).
What are the key properties of N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18227661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).