2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one

C12H13NOS — CID 13155804

IUPAC2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one
SMILESCC1=CC(=O)NC(Cc2ccccc2)S1
InChIInChI=1S/C12H13NOS/c1-9-7-11(14)13-12(15-9)8-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyITNLCTBUDUYMLB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.32
Rot. Bonds2

About 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one

2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one (PubChem CID 13155804) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one
PubChem CID13155804
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one
SMILESCC1=CC(=O)NC(Cc2ccccc2)S1
InChIInChI=1S/C12H13NOS/c1-9-7-11(14)13-12(15-9)8-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyITNLCTBUDUYMLB-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one?
The IUPAC name of 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one (CID 13155804) is 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one.
What is the SMILES notation for 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one?
The canonical SMILES for 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one is CC1=CC(=O)NC(Cc2ccccc2)S1.
What is the InChIKey of 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one?
The InChIKey is ITNLCTBUDUYMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-7-11(14)13-12(15-9)8-10-5-3-2-4-6-10/h2-7,12H,8H2,1H3,(H,13,14).
What are the key properties of 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one?
2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one has a molecular weight of 219.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one is sourced from PubChem (CID 13155804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).