6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

C12H7ClN2O2S — CID 25219646

IUPAC6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C12H7ClN2O2S/c13-8-3-1-7(2-4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeySIZNLUSBLMONHI-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.41
Rot. Bonds2

About 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (PubChem CID 25219646) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
PubChem CID25219646
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid
SMILESO=C(O)c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C12H7ClN2O2S/c13-8-3-1-7(2-4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKeySIZNLUSBLMONHI-UHFFFAOYSA-N
XLogP3.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid (CID 25219646) is 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is O=C(O)c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
The InChIKey is SIZNLUSBLMONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-8-3-1-7(2-4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17).
What are the key properties of 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid?
6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid has a molecular weight of 278.72 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 25219646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).