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

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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).