1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone

C12H11NOS — CID 22313835

IUPAC1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cscn2)c(C)c1
InChIInChI=1S/C12H11NOS/c1-8-5-10(9(2)14)3-4-11(8)12-6-15-7-13-12/h3-7H,1-2H3
InChIKeyKGUJHGBPHOTLSQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone

1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone (PubChem CID 22313835) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone
PubChem CID22313835
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cscn2)c(C)c1
InChIInChI=1S/C12H11NOS/c1-8-5-10(9(2)14)3-4-11(8)12-6-15-7-13-12/h3-7H,1-2H3
InChIKeyKGUJHGBPHOTLSQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-amino-3-(1,3-thiazol-4-yl)phenyl]ethanone
CID 174466781
1-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]ethanone
CID 22313830
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
CID 97033863
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
[2-acetyloxy-3-(1,3-thiazol-4-yl)phenyl] acetate
CID 54040681
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone (CID 22313835) is 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cscn2)c(C)c1.
What is the InChIKey of 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone?
The InChIKey is KGUJHGBPHOTLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-5-10(9(2)14)3-4-11(8)12-6-15-7-13-12/h3-7H,1-2H3.
What are the key properties of 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone?
1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone has a molecular weight of 217.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(1,3-thiazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 22313835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).