2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine

C16H19N3S — CID 115333398

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H19N3S/c1-11(2)12-3-5-13(6-4-12)15(17)9-14-10-19-7-8-20-16(19)18-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyVHTSZBPQKVQJGT-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.76
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115333398) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID115333398
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C16H19N3S/c1-11(2)12-3-5-13(6-4-12)15(17)9-14-10-19-7-8-20-16(19)18-14/h3-8,10-11,15H,9,17H2,1-2H3
InChIKeyVHTSZBPQKVQJGT-UHFFFAOYSA-N
XLogP3.76
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719
1-(5-bromothiophen-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333678
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylimidazol-4-yl)ethanamine
CID 107976895
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
CID 105023564
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine (CID 115333398) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is VHTSZBPQKVQJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(2)12-3-5-13(6-4-12)15(17)9-14-10-19-7-8-20-16(19)18-14/h3-8,10-11,15H,9,17H2,1-2H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115333398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).