6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C15H10N2O2S2 — CID 114911018

IUPAC6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3cc4ccccc4s3)cn12
InChIInChI=1S/C15H10N2O2S2/c1-8-13(14(18)19)21-15-16-10(7-17(8)15)12-6-9-4-2-3-5-11(9)20-12/h2-7H,1H3,(H,18,19)
InChIKeyPJNJYERGNJGIAT-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds2

About 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 114911018) has the molecular formula C15H10N2O2S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID114911018
Molecular FormulaC15H10N2O2S2
Molecular Weight314.39 g/mol
Exact Mass314.02
IUPAC Name6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(-c3cc4ccccc4s3)cn12
InChIInChI=1S/C15H10N2O2S2/c1-8-13(14(18)19)21-15-16-10(7-17(8)15)12-6-9-4-2-3-5-11(9)20-12/h2-7H,1H3,(H,18,19)
InChIKeyPJNJYERGNJGIAT-UHFFFAOYSA-N
XLogP4.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-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 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 114911018) is 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1c(C(=O)O)sc2nc(-c3cc4ccccc4s3)cn12.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is PJNJYERGNJGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S2/c1-8-13(14(18)19)21-15-16-10(7-17(8)15)12-6-9-4-2-3-5-11(9)20-12/h2-7H,1H3,(H,18,19).
What are the key properties of 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 114911018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).