[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C12H9Cl2N3S — CID 39196818

IUPAC[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1cnc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C12H9Cl2N3S/c13-9-2-1-7(3-10(9)14)11-6-18-12-16-5-8(4-15)17(11)12/h1-3,5-6H,4,15H2
InChIKeySDSGIGQCFDMHBA-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.83
Rot. Bonds2

About [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39196818) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39196818
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1cnc2scc(-c3ccc(Cl)c(Cl)c3)n12
InChIInChI=1S/C12H9Cl2N3S/c13-9-2-1-7(3-10(9)14)11-6-18-12-16-5-8(4-15)17(11)12/h1-3,5-6H,4,15H2
InChIKeySDSGIGQCFDMHBA-UHFFFAOYSA-N
XLogP3.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 164588860
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
[3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 82061918
(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 82061842
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195226
3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068410
2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062239
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3-(3,4-dichlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035539
3-(3,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035537
3-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068416
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068425

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39196818) is [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1cnc2scc(-c3ccc(Cl)c(Cl)c3)n12.
What is the InChIKey of [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is SDSGIGQCFDMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-9-2-1-7(3-10(9)14)11-6-18-12-16-5-8(4-15)17(11)12/h1-3,5-6H,4,15H2.
What are the key properties of [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 298.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39196818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).