5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid

C9H10N2O3S — CID 130505258

IUPAC5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(NC1CCC1)c1cnc(C(=O)O)s1
InChIInChI=1S/C9H10N2O3S/c12-7(11-5-2-1-3-5)6-4-10-8(15-6)9(13)14/h4-5H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVPSUDKUENGYOBA-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.12
Rot. Bonds3

About 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid

5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 130505258) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
PubChem CID130505258
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(NC1CCC1)c1cnc(C(=O)O)s1
InChIInChI=1S/C9H10N2O3S/c12-7(11-5-2-1-3-5)6-4-10-8(15-6)9(13)14/h4-5H,1-3H2,(H,11,12)(H,13,14)
InChIKeyVPSUDKUENGYOBA-UHFFFAOYSA-N
XLogP1.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-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-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579
5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267590
2-tert-butyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126770959
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
2-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 47925520
2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119449848
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid (CID 130505258) is 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid is O=C(NC1CCC1)c1cnc(C(=O)O)s1.
What is the InChIKey of 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is VPSUDKUENGYOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-7(11-5-2-1-3-5)6-4-10-8(15-6)9(13)14/h4-5H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid?
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 130505258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).