2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid

C18H12N2O2S — CID 59179932

IUPAC2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2cc(-c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C18H12N2O2S/c21-17(22)15-11-23-18(19-15)20-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)20/h1-11H,(H,21,22)
InChIKeyIFDZDDHGORQZBC-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.45
Rot. Bonds3

About 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid

2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 59179932) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID59179932
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-n2cc(-c3ccccc3)c3ccccc32)n1
InChIInChI=1S/C18H12N2O2S/c21-17(22)15-11-23-18(19-15)20-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)20/h1-11H,(H,21,22)
InChIKeyIFDZDDHGORQZBC-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenylindol-1-yl)-1,3-thiazole-4-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

Sodium 2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate
CID 44448986
Sodium 2-[3-(2-methylpropyl)-6-(trifluoromethyl)indol-1-yl]-1,3-thiazole-4-carboxylate
CID 44449089
Sodium 2-[6-bromo-3-(2-methylpropyl)indol-1-yl]-1,3-thiazole-4-carboxylate
CID 44449112
2-[3-(3-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 44611364
2-(3-Phenyl-1h-indazol-1-yl)thiazole-4-carboxylic acid
CID 46220500
2-(5-Fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179893
2-(6-Fluoro-3-phenylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179904
2-[3-(4-Fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179908
2-[3-(Cyclohexen-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179924
2-(3-Piperidin-1-ylindazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179928
2-(3-Phenylpyrazolo[5,4-c]pyridin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 59179967
2-[3-(Cyclopenten-1-yl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179968

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 59179932) is 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-n2cc(-c3ccccc3)c3ccccc32)n1.
What is the InChIKey of 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IFDZDDHGORQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17(22)15-11-23-18(19-15)20-10-14(12-6-2-1-3-7-12)13-8-4-5-9-16(13)20/h1-11H,(H,21,22).
What are the key properties of 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylindol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 59179932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).