2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid

C18H19ClN2O3S — CID 22315250

IUPAC2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN2O3S/c19-13-7-5-12(6-8-13)14(9-11-3-1-2-4-11)16(22)21-18-20-15(10-25-18)17(23)24/h5-8,10-11,14H,1-4,9H2,(H,23,24)(H,20,21,22)
InChIKeyWTXOVDHQQUMODY-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.80
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 22315250) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID22315250
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN2O3S/c19-13-7-5-12(6-8-13)14(9-11-3-1-2-4-11)16(22)21-18-20-15(10-25-18)17(23)24/h5-8,10-11,14H,1-4,9H2,(H,23,24)(H,20,21,22)
InChIKeyWTXOVDHQQUMODY-UHFFFAOYSA-N
XLogP4.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22467927
methyl 2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazole-4-carboxylate
CID 20707096
2-[2-[[3-cyclopentyl-2-(4-phenylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 22467914
[4-[3-cyclopentyl-1-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]phenyl]methanesulfinate
CID 174372074
ethyl 2-[2-[[3-cyclopentyl-2-(4-nitrophenyl)propanoyl]amino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 54387059
methyl 2-[2-[[3-cyclopentyl-2-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 20707091
[4-[3-cyclopentyl-1-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]phenyl]methanesulfinate
CID 174374218
3-cyclopentyl-N-[4-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87642611
ethyl 2-[2-[[3-cyclopentyl-2-(4-phenoxyphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86584138
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
(2R)-3-cyclopentyl-N-[4-[diethoxyphosphoryl(hydroxy)methyl]-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)propanamide;methane
CID 158673453
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 22315250) is 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WTXOVDHQQUMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-13-7-5-12(6-8-13)14(9-11-3-1-2-4-11)16(22)21-18-20-15(10-25-18)17(23)24/h5-8,10-11,14H,1-4,9H2,(H,23,24)(H,20,21,22).
What are the key properties of 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 378.88 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-3-cyclopentylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22315250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).