1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C15H15N3OS — CID 116577576

IUPAC1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNCCc1ccccc1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H15N3OS/c16-6-5-11-3-1-2-4-13(11)14(19)9-12-10-18-7-8-20-15(18)17-12/h1-4,7-8,10H,5-6,9,16H2
InChIKeyLLJMLEDGTVYKHB-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 116577576) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID116577576
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESNCCc1ccccc1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C15H15N3OS/c16-6-5-11-3-1-2-4-13(11)14(19)9-12-10-18-7-8-20-15(18)17-12/h1-4,7-8,10H,5-6,9,16H2
InChIKeyLLJMLEDGTVYKHB-UHFFFAOYSA-N
XLogP2.32
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-fluorophenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 23879269
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
1-(2,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792047
2-[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanamine
CID 115957858
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
2-[(2-fluorophenyl)methyl]-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334246
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116591105

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 116577576) is 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is NCCc1ccccc1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is LLJMLEDGTVYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-6-5-11-3-1-2-4-13(11)14(19)9-12-10-18-7-8-20-15(18)17-12/h1-4,7-8,10H,5-6,9,16H2.
What are the key properties of 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 285.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 116577576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).