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

C11H12N2OS — CID 11971509

IUPAC2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccncc2)SC(C)C(=O)N1
InChIInChI=1S/C11H12N2OS/c1-7-10(9-3-5-12-6-4-9)15-8(2)11(14)13-7/h3-6,8H,1-2H3,(H,13,14)
InChIKeyBASQBTAAMSCNOS-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.02
Rot. Bonds1

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

2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (PubChem CID 11971509) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
PubChem CID11971509
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccncc2)SC(C)C(=O)N1
InChIInChI=1S/C11H12N2OS/c1-7-10(9-3-5-12-6-4-9)15-8(2)11(14)13-7/h3-6,8H,1-2H3,(H,13,14)
InChIKeyBASQBTAAMSCNOS-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The IUPAC name of 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (CID 11971509) is 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.
What is the SMILES notation for 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The canonical SMILES for 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is CC1=C(c2ccncc2)SC(C)C(=O)N1.
What is the InChIKey of 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The InChIKey is BASQBTAAMSCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-10(9-3-5-12-6-4-9)15-8(2)11(14)13-7/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one has a molecular weight of 220.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is sourced from PubChem (CID 11971509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).