5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid

C9H12N2O2S — CID 83703476

IUPAC5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCCC2)nc1C(=O)O
InChIInChI=1S/C9H12N2O2S/c10-7-6(9(12)13)11-8(14-7)5-3-1-2-4-5/h5H,1-4,10H2,(H,12,13)
InChIKeyCYNDPJJRJJNQIX-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.08
Rot. Bonds2

About 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid

5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid (PubChem CID 83703476) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
PubChem CID83703476
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCCC2)nc1C(=O)O
InChIInChI=1S/C9H12N2O2S/c10-7-6(9(12)13)11-8(14-7)5-3-1-2-4-5/h5H,1-4,10H2,(H,12,13)
InChIKeyCYNDPJJRJJNQIX-UHFFFAOYSA-N
XLogP2.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 22494322
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199815
5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199913
2-cyclopentyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077032
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
5-amino-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,3-thiazole-4-carboxylic acid
CID 103200001
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-cyclopentyl-4-ethyl-1,3-thiazol-5-amine
CID 62076526
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid (CID 83703476) is 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid is Nc1sc(C2CCCC2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is CYNDPJJRJJNQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-7-6(9(12)13)11-8(14-7)5-3-1-2-4-5/h5H,1-4,10H2,(H,12,13).
What are the key properties of 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid?
5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83703476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).