2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C18H23N3S — CID 93210774

IUPAC2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3nc(C(C)(C)C)c(CCN)n23)cc1
InChIInChI=1S/C18H23N3S/c1-12-5-7-13(8-6-12)15-11-22-17-20-16(18(2,3)4)14(9-10-19)21(15)17/h5-8,11H,9-10,19H2,1-4H3
InChIKeyFHQDIMGHFKMZFE-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.17
Rot. Bonds3

About 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 93210774) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID93210774
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2csc3nc(C(C)(C)C)c(CCN)n23)cc1
InChIInChI=1S/C18H23N3S/c1-12-5-7-13(8-6-12)15-11-22-17-20-16(18(2,3)4)14(9-10-19)21(15)17/h5-8,11H,9-10,19H2,1-4H3
InChIKeyFHQDIMGHFKMZFE-UHFFFAOYSA-N
XLogP4.17
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-tert-butyl-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062518
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565
2-[6-tert-butyl-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062412
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062489
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 93210774) is 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1ccc(-c2csc3nc(C(C)(C)C)c(CCN)n23)cc1.
What is the InChIKey of 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is FHQDIMGHFKMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-12-5-7-13(8-6-12)15-11-22-17-20-16(18(2,3)4)14(9-10-19)21(15)17/h5-8,11H,9-10,19H2,1-4H3.
What are the key properties of 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 313.47 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 93210774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).