2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

C13H9ClN2O2S — CID 10661360

IUPAC2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESO=C(O)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C13H9ClN2O2S/c14-9-3-1-8(2-4-9)11-7-19-13-15-10(5-12(17)18)6-16(11)13/h1-4,6-7H,5H2,(H,17,18)
InChIKeyQIYHBAWUUHJFPA-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.34
Rot. Bonds3

About 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid

2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid (PubChem CID 10661360) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
PubChem CID10661360
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
SMILESO=C(O)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C13H9ClN2O2S/c14-9-3-1-8(2-4-9)11-7-19-13-15-10(5-12(17)18)6-16(11)13/h1-4,6-7H,5H2,(H,17,18)
InChIKeyQIYHBAWUUHJFPA-UHFFFAOYSA-N
XLogP3.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid (CID 10661360) is 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is O=C(O)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1.
What is the InChIKey of 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
The InChIKey is QIYHBAWUUHJFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-9-3-1-8(2-4-9)11-7-19-13-15-10(5-12(17)18)6-16(11)13/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid?
2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid has a molecular weight of 292.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid is sourced from PubChem (CID 10661360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).