1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone

C12H11NOS — CID 25214626

IUPAC1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C12H11NOS/c1-8-12(15-7-13-8)11-5-3-10(4-6-11)9(2)14/h3-7H,1-2H3
InChIKeyNNQLMIFGFMLEDQ-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone

1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone (PubChem CID 25214626) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone
PubChem CID25214626
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C12H11NOS/c1-8-12(15-7-13-8)11-5-3-10(4-6-11)9(2)14/h3-7H,1-2H3
InChIKeyNNQLMIFGFMLEDQ-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-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone (CID 25214626) is 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone?
The InChIKey is NNQLMIFGFMLEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-12(15-7-13-8)11-5-3-10(4-6-11)9(2)14/h3-7H,1-2H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone?
1-[4-(4-methyl-1,3-thiazol-5-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-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 25214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).