pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid

C7H5NO2S — CID 96632803

IUPACpyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1ccc2sccn12
InChIInChI=1S/C7H5NO2S/c9-7(10)5-1-2-6-8(5)3-4-11-6/h1-4H,(H,9,10)
InChIKeyUSIIRSQELKECJG-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.70
Rot. Bonds1

About pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid

pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 96632803) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID96632803
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Namepyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1ccc2sccn12
InChIInChI=1S/C7H5NO2S/c9-7(10)5-1-2-6-8(5)3-4-11-6/h1-4H,(H,9,10)
InChIKeyUSIIRSQELKECJG-UHFFFAOYSA-N
XLogP1.70
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyrrolo[2,1-b][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 pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 96632803) is pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1ccc2sccn12.
What is the InChIKey of pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is USIIRSQELKECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-7(10)5-1-2-6-8(5)3-4-11-6/h1-4H,(H,9,10).
What are the key properties of pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid?
pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 167.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 96632803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).