5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid

C9H5N3O2S2 — CID 82382546

IUPAC5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cn2ccnc2s1
InChIInChI=1S/C9H5N3O2S2/c13-8(14)6-7(15-4-11-6)5-3-12-2-1-10-9(12)16-5/h1-4H,(H,13,14)
InChIKeyKOWFCOKBORPMPZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.22
Rot. Bonds2

About 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid

5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 82382546) has the molecular formula C9H5N3O2S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID82382546
Molecular FormulaC9H5N3O2S2
Molecular Weight251.29 g/mol
Exact Mass250.98
IUPAC Name5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1-c1cn2ccnc2s1
InChIInChI=1S/C9H5N3O2S2/c13-8(14)6-7(15-4-11-6)5-3-12-2-1-10-9(12)16-5/h1-4H,(H,13,14)
InChIKeyKOWFCOKBORPMPZ-UHFFFAOYSA-N
XLogP2.22
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-imidazo[2,1-b][1,3]thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid (CID 82382546) is 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1-c1cn2ccnc2s1.
What is the InChIKey of 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is KOWFCOKBORPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2S2/c13-8(14)6-7(15-4-11-6)5-3-12-2-1-10-9(12)16-5/h1-4H,(H,13,14).
What are the key properties of 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid?
5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[2,1-b][1,3]thiazol-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82382546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).