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

C10H10N2OS — CID 3062532

IUPAC5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccncc2)SCC(=O)N1
InChIInChI=1S/C10H10N2OS/c1-7-10(14-6-9(13)12-7)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyWZLDCQZXQZZCJI-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.63
Rot. Bonds1

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

5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (PubChem CID 3062532) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.

Molecular Properties

Compound Name5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
PubChem CID3062532
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccncc2)SCC(=O)N1
InChIInChI=1S/C10H10N2OS/c1-7-10(14-6-9(13)12-7)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyWZLDCQZXQZZCJI-UHFFFAOYSA-N
XLogP1.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The IUPAC name of 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one (CID 3062532) is 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one.
What is the SMILES notation for 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The canonical SMILES for 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is CC1=C(c2ccncc2)SCC(=O)N1.
What is the InChIKey of 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
The InChIKey is WZLDCQZXQZZCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-10(14-6-9(13)12-7)8-2-4-11-5-3-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one?
5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one has a molecular weight of 206.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one is sourced from PubChem (CID 3062532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).