4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid

C9H11ClN2O2S — CID 130580837

IUPAC4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC1(Nc2nc(Cl)c(C(=O)O)s2)CCC1
InChIInChI=1S/C9H11ClN2O2S/c1-9(3-2-4-9)12-8-11-6(10)5(15-8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyMOAXHHABCGYPLK-UHFFFAOYSA-N
MW246.72 g/mol
LogP2.85
Rot. Bonds3

About 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid

4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 130580837) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID130580837
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC1(Nc2nc(Cl)c(C(=O)O)s2)CCC1
InChIInChI=1S/C9H11ClN2O2S/c1-9(3-2-4-9)12-8-11-6(10)5(15-8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyMOAXHHABCGYPLK-UHFFFAOYSA-N
XLogP2.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[(1-methylcyclobutyl)amino]-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid (CID 130580837) is 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid is CC1(Nc2nc(Cl)c(C(=O)O)s2)CCC1.
What is the InChIKey of 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MOAXHHABCGYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-9(3-2-4-9)12-8-11-6(10)5(15-8)7(13)14/h2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid?
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 246.72 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130580837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).