1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

C16H16N2OS — CID 115333101

IUPAC1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESCc1ccc(CC(=O)Cc2cn3ccsc3n2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-3-4-13(7-12(11)2)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10H,8-9H2,1-2H3
InChIKeyFQDALPCNAWAKKT-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.37
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one

1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (PubChem CID 115333101) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
PubChem CID115333101
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
SMILESCc1ccc(CC(=O)Cc2cn3ccsc3n2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-3-4-13(7-12(11)2)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10H,8-9H2,1-2H3
InChIKeyFQDALPCNAWAKKT-UHFFFAOYSA-N
XLogP3.37
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 113289109
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765
1-(4-bromo-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 115792074
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methylphenyl)ethanone
CID 115333062
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
CID 113289114
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51123694
5-fluoro-N'-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-methylbenzohydrazide
CID 17411234

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one (CID 115333101) is 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is Cc1ccc(CC(=O)Cc2cn3ccsc3n2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
The InChIKey is FQDALPCNAWAKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-3-4-13(7-12(11)2)8-15(19)9-14-10-18-5-6-20-16(18)17-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one?
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one is sourced from PubChem (CID 115333101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).