2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C15H16ClN3S — CID 39195410

IUPAC2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1cn2c(CCN)c(-c3ccc(Cl)c(C)c3)nc2s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-11(3-4-12(9)16)14-13(5-6-17)19-8-10(2)20-15(19)18-14/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyXLKCNBIADBSHFS-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.83
Rot. Bonds3

About 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195410) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195410
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1cn2c(CCN)c(-c3ccc(Cl)c(C)c3)nc2s1
InChIInChI=1S/C15H16ClN3S/c1-9-7-11(3-4-12(9)16)14-13(5-6-17)19-8-10(2)20-15(19)18-14/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyXLKCNBIADBSHFS-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-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
2-[6-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82530532
2-[5-(4-chloro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360112
2-(6-chloro-8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531180
ethyl 2-[6-(4-chloro-3-methylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 5190515
[6-(4-chloro-3-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961506
[2-methyl-6-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197000
(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
2-(6-chloro-8-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82531181

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195410) is 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1cn2c(CCN)c(-c3ccc(Cl)c(C)c3)nc2s1.
What is the InChIKey of 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is XLKCNBIADBSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-9-7-11(3-4-12(9)16)14-13(5-6-17)19-8-10(2)20-15(19)18-14/h3-4,7-8H,5-6,17H2,1-2H3.
What are the key properties of 2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[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-[6-(4-chloro-3-methylphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).