2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one

C12H14N2OS — CID 11971510

IUPAC2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCCC1SC(c2ccncc2)=C(C)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-10-12(15)14-8(2)11(16-10)9-4-6-13-7-5-9/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeyVYLRKCVSVIYLTR-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one

2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (PubChem CID 11971510) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
PubChem CID11971510
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCCC1SC(c2ccncc2)=C(C)NC1=O
InChIInChI=1S/C12H14N2OS/c1-3-10-12(15)14-8(2)11(16-10)9-4-6-13-7-5-9/h4-7,10H,3H2,1-2H3,(H,14,15)
InChIKeyVYLRKCVSVIYLTR-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The IUPAC name of 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (CID 11971510) is 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.
What is the SMILES notation for 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The canonical SMILES for 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is CCC1SC(c2ccncc2)=C(C)NC1=O.
What is the InChIKey of 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The InChIKey is VYLRKCVSVIYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-10-12(15)14-8(2)11(16-10)9-4-6-13-7-5-9/h4-7,10H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one has a molecular weight of 234.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is sourced from PubChem (CID 11971510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).