1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C15H17NOS — CID 115789426

IUPAC1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nc(C)c(C)s2)c1C
InChIInChI=1S/C15H17NOS/c1-9-6-5-7-13(10(9)2)14(17)8-15-16-11(3)12(4)18-15/h5-7H,8H2,1-4H3
InChIKeyTZXBGKQJAWIORI-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.80
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 115789426) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID115789426
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cccc(C(=O)Cc2nc(C)c(C)s2)c1C
InChIInChI=1S/C15H17NOS/c1-9-6-5-7-13(10(9)2)14(17)8-15-16-11(3)12(4)18-15/h5-7H,8H2,1-4H3
InChIKeyTZXBGKQJAWIORI-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
1-(4-amino-2-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 112736182
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114969742
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
CID 175001099

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 115789426) is 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1cccc(C(=O)Cc2nc(C)c(C)s2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is TZXBGKQJAWIORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-9-6-5-7-13(10(9)2)14(17)8-15-16-11(3)12(4)18-15/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 259.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115789426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).