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

C12H9ClN2O2S — CID 80688286

IUPAC4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCc3ccccc32)nc1Cl
InChIInChI=1S/C12H9ClN2O2S/c13-10-9(11(16)17)18-12(14-10)15-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H,16,17)
InChIKeyIROSXGJHUKKMGH-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.19
Rot. Bonds2

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

4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 80688286) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID80688286
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCc3ccccc32)nc1Cl
InChIInChI=1S/C12H9ClN2O2S/c13-10-9(11(16)17)18-12(14-10)15-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H,16,17)
InChIKeyIROSXGJHUKKMGH-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-(2,3-dihydroindol-1-yl)-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-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid (CID 80688286) is 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCc3ccccc32)nc1Cl.
What is the InChIKey of 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IROSXGJHUKKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-10-9(11(16)17)18-12(14-10)15-6-5-7-3-1-2-4-8(7)15/h1-4H,5-6H2,(H,16,17).
What are the key properties of 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid?
4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80688286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).