1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one

C15H14N2O2S — CID 78942904

IUPAC1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1cn2ccsc2n1
InChIInChI=1S/C15H14N2O2S/c1-2-13(18)12-5-3-4-6-14(12)19-10-11-9-17-7-8-20-15(17)16-11/h3-9H,2,10H2,1H3
InChIKeyVJVOCNHLCLZMEI-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.57
Rot. Bonds5

About 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one

1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one (PubChem CID 78942904) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
PubChem CID78942904
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCc1cn2ccsc2n1
InChIInChI=1S/C15H14N2O2S/c1-2-13(18)12-5-3-4-6-14(12)19-10-11-9-17-7-8-20-15(17)16-11/h3-9H,2,10H2,1H3
InChIKeyVJVOCNHLCLZMEI-UHFFFAOYSA-N
XLogP3.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332162
[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanol
CID 113288919
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-ol
CID 115332159
1-[5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanone
CID 78942887
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150814
5-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331935
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
CID 115331313
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-4-methoxyphenyl]ethanone
CID 82002993
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
2-chloro-6-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzaldehyde
CID 113288865
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one (CID 78942904) is 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1OCc1cn2ccsc2n1.
What is the InChIKey of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one?
The InChIKey is VJVOCNHLCLZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-13(18)12-5-3-4-6-14(12)19-10-11-9-17-7-8-20-15(17)16-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one?
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one has a molecular weight of 286.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one is sourced from PubChem (CID 78942904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).