6-ethyl-2-phenyl-1,3-thiazin-4-one

C12H11NOS — CID 13155774

IUPAC6-ethyl-2-phenyl-1,3-thiazin-4-one
SMILESCCc1cc(=O)nc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-2-10-8-11(14)13-12(15-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyQDBIUBAAMKTTQS-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.73
Rot. Bonds2

About 6-ethyl-2-phenyl-1,3-thiazin-4-one

6-ethyl-2-phenyl-1,3-thiazin-4-one (PubChem CID 13155774) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 6-ethyl-2-phenyl-1,3-thiazin-4-one.

Molecular Properties

Compound Name6-ethyl-2-phenyl-1,3-thiazin-4-one
PubChem CID13155774
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name6-ethyl-2-phenyl-1,3-thiazin-4-one
SMILESCCc1cc(=O)nc(-c2ccccc2)s1
InChIInChI=1S/C12H11NOS/c1-2-10-8-11(14)13-12(15-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyQDBIUBAAMKTTQS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenyl-1,3-thiazin-4-one?
The IUPAC name of 6-ethyl-2-phenyl-1,3-thiazin-4-one (CID 13155774) is 6-ethyl-2-phenyl-1,3-thiazin-4-one.
What is the SMILES notation for 6-ethyl-2-phenyl-1,3-thiazin-4-one?
The canonical SMILES for 6-ethyl-2-phenyl-1,3-thiazin-4-one is CCc1cc(=O)nc(-c2ccccc2)s1.
What is the InChIKey of 6-ethyl-2-phenyl-1,3-thiazin-4-one?
The InChIKey is QDBIUBAAMKTTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-2-10-8-11(14)13-12(15-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 6-ethyl-2-phenyl-1,3-thiazin-4-one?
6-ethyl-2-phenyl-1,3-thiazin-4-one has a molecular weight of 217.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenyl-1,3-thiazin-4-one is sourced from PubChem (CID 13155774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).