2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine

C16H19N3OS — CID 105023564

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H19N3OS/c1-2-7-20-14-5-3-4-12(9-14)15(17)10-13-11-19-6-8-21-16(19)18-13/h3-6,8-9,11,15H,2,7,10,17H2,1H3
InChIKeyQLPCHLIBFLMNKS-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.43
Rot. Bonds6

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

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine (PubChem CID 105023564) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
PubChem CID105023564
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2cn3ccsc3n2)c1
InChIInChI=1S/C16H19N3OS/c1-2-7-20-14-5-3-4-12(9-14)15(17)10-13-11-19-6-8-21-16(19)18-13/h3-6,8-9,11,15H,2,7,10,17H2,1H3
InChIKeyQLPCHLIBFLMNKS-UHFFFAOYSA-N
XLogP3.43
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
1-(4-tert-butylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023719
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
1-(2-ethyl-5-methylpyrazol-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174148

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine (CID 105023564) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2cn3ccsc3n2)c1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine?
The InChIKey is QLPCHLIBFLMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-7-20-14-5-3-4-12(9-14)15(17)10-13-11-19-6-8-21-16(19)18-13/h3-6,8-9,11,15H,2,7,10,17H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine has a molecular weight of 301.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 105023564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).