4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid

C8H9ClN2O2S — CID 117258671

IUPAC4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC2CCC2)nc1Cl
InChIInChI=1S/C8H9ClN2O2S/c9-6-5(7(12)13)14-8(11-6)10-4-2-1-3-4/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyJXDNNFDMLRYETQ-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.46
Rot. Bonds3

About 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 117258671) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID117258671
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(NC2CCC2)nc1Cl
InChIInChI=1S/C8H9ClN2O2S/c9-6-5(7(12)13)14-8(11-6)10-4-2-1-3-4/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKeyJXDNNFDMLRYETQ-UHFFFAOYSA-N
XLogP2.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(cyclobutylamino)-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

4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
4-chloro-2-[(2-methylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580823
4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carbaldehyde
CID 53273626
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
4-chloro-2-[(1-methylcyclobutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 130580837
methyl 4-chloro-2-[(3-ethylsulfinylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 133338018
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
4-chloro-2-(propylamino)-1,3-thiazole-5-carboxylic acid
CID 130580815
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid (CID 117258671) is 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(NC2CCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JXDNNFDMLRYETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-6-5(7(12)13)14-8(11-6)10-4-2-1-3-4/h4H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 232.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 117258671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).