1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

C17H21N3S — CID 105023719

IUPAC1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C17H21N3S/c1-17(2,3)13-6-4-12(5-7-13)15(18)10-14-11-20-8-9-21-16(20)19-14/h4-9,11,15H,10,18H2,1-3H3
InChIKeyXMOVJYHVAXDSOD-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine

1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (PubChem CID 105023719) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
PubChem CID105023719
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1
InChIInChI=1S/C17H21N3S/c1-17(2,3)13-6-4-12(5-7-13)15(18)10-14-11-20-8-9-21-16(20)19-14/h4-9,11,15H,10,18H2,1-3H3
InChIKeyXMOVJYHVAXDSOD-UHFFFAOYSA-N
XLogP3.94
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
3-(4-fluorophenyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-amine
CID 115333691
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
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylimidazol-4-yl)ethanamine
CID 107976895
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105023582
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
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
2-(4-ethylphenyl)-1-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333010
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine (CID 105023719) is 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is CC(C)(C)c1ccc(C(N)Cc2cn3ccsc3n2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
The InChIKey is XMOVJYHVAXDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-17(2,3)13-6-4-12(5-7-13)15(18)10-14-11-20-8-9-21-16(20)19-14/h4-9,11,15H,10,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine?
1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine is sourced from PubChem (CID 105023719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).