4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid

C13H18N2O3S — CID 69484910

IUPAC4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-2-11-15-9(12(19-11)13(17)18)7-10(16)14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQJOYZRZUWFWDLD-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds5

About 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid

4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 69484910) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID69484910
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-2-11-15-9(12(19-11)13(17)18)7-10(16)14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyQJOYZRZUWFWDLD-UHFFFAOYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 69484863
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155063
2-(2-ethyl-5-methoxycarbonyl-1,3-thiazol-4-yl)acetic acid
CID 69487025
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
CID 69484821
4-amino-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 83529575
N-cyclohexyl-4-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864319
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629010
2-[(cyclopropylamino)methyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358664
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 60981942

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid (CID 69484910) is 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1.
What is the InChIKey of 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QJOYZRZUWFWDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-11-15-9(12(19-11)13(17)18)7-10(16)14-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid?
4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).