imidazo[5,1-b][1,3]thiazole-7-carboxylic acid

C6H4N2O2S — CID 23449010

IUPACimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)c1ncn2ccsc12
InChIInChI=1S/C6H4N2O2S/c9-6(10)4-5-8(3-7-4)1-2-11-5/h1-3H,(H,9,10)
InChIKeyXBZRHXNVJONYJT-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.09
Rot. Bonds1

About imidazo[5,1-b][1,3]thiazole-7-carboxylic acid

imidazo[5,1-b][1,3]thiazole-7-carboxylic acid (PubChem CID 23449010) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is imidazo[5,1-b][1,3]thiazole-7-carboxylic acid.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
PubChem CID23449010
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Nameimidazo[5,1-b][1,3]thiazole-7-carboxylic acid
SMILESO=C(O)c1ncn2ccsc12
InChIInChI=1S/C6H4N2O2S/c9-6(10)4-5-8(3-7-4)1-2-11-5/h1-3H,(H,9,10)
InChIKeyXBZRHXNVJONYJT-UHFFFAOYSA-N
XLogP1.09
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze imidazo[5,1-b][1,3]thiazole-7-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 imidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The IUPAC name of imidazo[5,1-b][1,3]thiazole-7-carboxylic acid (CID 23449010) is imidazo[5,1-b][1,3]thiazole-7-carboxylic acid.
What is the SMILES notation for imidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The canonical SMILES for imidazo[5,1-b][1,3]thiazole-7-carboxylic acid is O=C(O)c1ncn2ccsc12.
What is the InChIKey of imidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
The InChIKey is XBZRHXNVJONYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c9-6(10)4-5-8(3-7-4)1-2-11-5/h1-3H,(H,9,10).
What are the key properties of imidazo[5,1-b][1,3]thiazole-7-carboxylic acid?
imidazo[5,1-b][1,3]thiazole-7-carboxylic acid has a molecular weight of 168.18 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b][1,3]thiazole-7-carboxylic acid is sourced from PubChem (CID 23449010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).