2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone

C15H14N2O2S — CID 115792064

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cn3ccsc3n2)ccc1C
InChIInChI=1S/C15H14N2O2S/c1-10-3-4-11(7-14(10)19-2)13(18)8-12-9-17-5-6-20-15(17)16-12/h3-7,9H,8H2,1-2H3
InChIKeySEPZHJPSSGWRCI-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.14
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 115792064) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
PubChem CID115792064
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cn3ccsc3n2)ccc1C
InChIInChI=1S/C15H14N2O2S/c1-10-3-4-11(7-14(10)19-2)13(18)8-12-9-17-5-6-20-15(17)16-12/h3-7,9H,8H2,1-2H3
InChIKeySEPZHJPSSGWRCI-UHFFFAOYSA-N
XLogP3.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-yl-1-(6-methyl-3-pyridinyl)ethanone
CID 105123048
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
1-(4-chloro-3-fluorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 107996572
1-(3-bromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289105
imidazo[2,1-b][1,3]thiazol-6-ylmethyl 4-amino-3-methoxybenzoate
CID 104784225
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-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 134053660

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone (CID 115792064) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone is COc1cc(C(=O)Cc2cn3ccsc3n2)ccc1C.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is SEPZHJPSSGWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-3-4-11(7-14(10)19-2)13(18)8-12-9-17-5-6-20-15(17)16-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 286.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 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-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 115792064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).