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

C14H14BrN3S — CID 39195164

IUPAC2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1sc2ncc(CCN)n2c1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3S/c1-9-13(10-2-4-11(15)5-3-10)18-12(6-7-16)8-17-14(18)19-9/h2-5,8H,6-7,16H2,1H3
InChIKeyOUPKHBQLRXXBPC-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.63
Rot. Bonds3

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

2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195164) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195164
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1sc2ncc(CCN)n2c1-c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3S/c1-9-13(10-2-4-11(15)5-3-10)18-12(6-7-16)8-17-14(18)19-9/h2-5,8H,6-7,16H2,1H3
InChIKeyOUPKHBQLRXXBPC-UHFFFAOYSA-N
XLogP3.63
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195162
2-(3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062319
5-(chloromethyl)-3-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 82061926
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195226
2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195234
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195012
2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195240
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride
CID 71299972
3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199083
2-(5-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 39150066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195164) is 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1sc2ncc(CCN)n2c1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is OUPKHBQLRXXBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-9-13(10-2-4-11(15)5-3-10)18-12(6-7-16)8-17-14(18)19-9/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 336.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).