4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

C9H9ClN2O2S — CID 80661610

IUPAC4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1csc2ncc(Cl)n12
InChIInChI=1S/C9H9ClN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyHUEJCBSCSFHHBG-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.46
Rot. Bonds4

About 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid

4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (PubChem CID 80661610) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
PubChem CID80661610
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid
SMILESO=C(O)CCCc1csc2ncc(Cl)n12
InChIInChI=1S/C9H9ClN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14)
InChIKeyHUEJCBSCSFHHBG-UHFFFAOYSA-N
XLogP2.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic 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 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid (CID 80661610) is 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is O=C(O)CCCc1csc2ncc(Cl)n12.
What is the InChIKey of 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
The InChIKey is HUEJCBSCSFHHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c10-7-4-11-9-12(7)6(5-15-9)2-1-3-8(13)14/h4-5H,1-3H2,(H,13,14).
What are the key properties of 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid?
4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid has a molecular weight of 244.70 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroimidazo[2,1-b][1,3]thiazol-3-yl)butanoic acid is sourced from PubChem (CID 80661610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).