2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C15H16ClN3S — CID 39195012

IUPAC2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1nc2sc(C)c(-c3ccc(Cl)cc3)n2c1CCN
InChIInChI=1S/C15H16ClN3S/c1-9-13(7-8-17)19-14(10(2)20-15(19)18-9)11-3-5-12(16)6-4-11/h3-6H,7-8,17H2,1-2H3
InChIKeyZRYGUYWFPJDJDO-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.83
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195012) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195012
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1nc2sc(C)c(-c3ccc(Cl)cc3)n2c1CCN
InChIInChI=1S/C15H16ClN3S/c1-9-13(7-8-17)19-14(10(2)20-15(19)18-9)11-3-5-12(16)6-4-11/h3-6H,7-8,17H2,1-2H3
InChIKeyZRYGUYWFPJDJDO-UHFFFAOYSA-N
XLogP3.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195038
3-(4-chlorophenyl)-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198378
2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195164
2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
2-[3-(2,4-dimethylphenyl)-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062599
3-(3,4-dichlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035528
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556
2-[2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195162
5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 82061926
[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195012) is 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1nc2sc(C)c(-c3ccc(Cl)cc3)n2c1CCN.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is ZRYGUYWFPJDJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-13(7-8-17)19-14(10(2)20-15(19)18-9)11-3-5-12(16)6-4-11/h3-6H,7-8,17H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 305.83 g/mol, XLogP of 3.83, 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)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).