4-cyclopentyl-1,3-thiazole-5-carboxylic acid

C9H11NO2S — CID 75449177

IUPAC4-cyclopentyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C1CCCC1
InChIInChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJAMCGOPCUMNCPA-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.50
Rot. Bonds2

About 4-cyclopentyl-1,3-thiazole-5-carboxylic acid

4-cyclopentyl-1,3-thiazole-5-carboxylic acid (PubChem CID 75449177) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-cyclopentyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-1,3-thiazole-5-carboxylic acid
PubChem CID75449177
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name4-cyclopentyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C1CCCC1
InChIInChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJAMCGOPCUMNCPA-UHFFFAOYSA-N
XLogP2.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopentyl-1,3-thiazole-5-carboxylic acid (CID 75449177) is 4-cyclopentyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JAMCGOPCUMNCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 4-cyclopentyl-1,3-thiazole-5-carboxylic acid?
4-cyclopentyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 197.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 75449177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).