3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

C11H8ClN3S — CID 82068413

IUPAC3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESNc1cnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C11H8ClN3S/c12-8-3-1-7(2-4-8)9-6-16-11-14-5-10(13)15(9)11/h1-6H,13H2
InChIKeyPKXATRRZHGNFOO-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 82068413) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID82068413
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESNc1cnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C11H8ClN3S/c12-8-3-1-7(2-4-8)9-6-16-11-14-5-10(13)15(9)11/h1-6H,13H2
InChIKeyPKXATRRZHGNFOO-UHFFFAOYSA-N
XLogP3.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068410
3-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068416
3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068426
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068425
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 117097244
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196818
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
CID 21178978
5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 12826650
5-bromo-3-phenylimidazo[2,1-b][1,3]thiazole
CID 165493348
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 82068413) is 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is Nc1cnc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is PKXATRRZHGNFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c12-8-3-1-7(2-4-8)9-6-16-11-14-5-10(13)15(9)11/h1-6H,13H2.
What are the key properties of 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 249.73 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82068413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).