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

C15H14N2O3S — CID 105123051

IUPAC1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCOc1cccc(C(=O)Cc2cn3ccsc3n2)c1OC
InChIInChI=1S/C15H14N2O3S/c1-19-13-5-3-4-11(14(13)20-2)12(18)8-10-9-17-6-7-21-15(17)16-10/h3-7,9H,8H2,1-2H3
InChIKeyUEZIFVQPNKDDKD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.84
Rot. Bonds5

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

1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 105123051) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID105123051
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCOc1cccc(C(=O)Cc2cn3ccsc3n2)c1OC
InChIInChI=1S/C15H14N2O3S/c1-19-13-5-3-4-11(14(13)20-2)12(18)8-10-9-17-6-7-21-15(17)16-10/h3-7,9H,8H2,1-2H3
InChIKeyUEZIFVQPNKDDKD-UHFFFAOYSA-N
XLogP2.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115791997
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)-3-methoxybenzaldehyde
CID 115331924
1-[2-(2-aminoethyl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116577576
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-one
CID 78942904
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(2-chloro-4-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115333102
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
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-methyl-2-pyridinyl)ethanone
CID 113289114
[2-(4-methoxyphenyl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3595564
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 105123051) is 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is COc1cccc(C(=O)Cc2cn3ccsc3n2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is UEZIFVQPNKDDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-13-5-3-4-11(14(13)20-2)12(18)8-10-9-17-6-7-21-15(17)16-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 302.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 105123051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).