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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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).