1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone

C12H11NOS — CID 62653159

IUPAC1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2C)s1
InChIInChI=1S/C12H11NOS/c1-8-5-3-4-6-10(8)12-13-7-11(15-12)9(2)14/h3-7H,1-2H3
InChIKeyBOEUYFSEXWUVNG-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 62653159) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
PubChem CID62653159
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2C)s1
InChIInChI=1S/C12H11NOS/c1-8-5-3-4-6-10(8)12-13-7-11(15-12)9(2)14/h3-7H,1-2H3
InChIKeyBOEUYFSEXWUVNG-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone (CID 62653159) is 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(-c2ccccc2C)s1.
What is the InChIKey of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is BOEUYFSEXWUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-5-3-4-6-10(8)12-13-7-11(15-12)9(2)14/h3-7H,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]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-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 62653159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).