1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

C12H11NOS — CID 540397

IUPAC1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H11NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyRXSKZUOBXJWMHY-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.32
Rot. Bonds2

About 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (PubChem CID 540397) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
PubChem CID540397
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C12H11NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyRXSKZUOBXJWMHY-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-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone (CID 540397) is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is RXSKZUOBXJWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone?
1-(4-methyl-2-phenyl-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-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 540397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).