4-methyl-1,4-thiazine

C5H7NS — CID 21356955

IUPAC4-methyl-1,4-thiazine
SMILESCN1C=CSC=C1
InChIInChI=1S/C5H7NS/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyOXTXLGBBFDJPBV-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.61
Rot. Bonds

About 4-methyl-1,4-thiazine

4-methyl-1,4-thiazine (PubChem CID 21356955) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 4-methyl-1,4-thiazine.

Molecular Properties

Compound Name4-methyl-1,4-thiazine
PubChem CID21356955
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name4-methyl-1,4-thiazine
SMILESCN1C=CSC=C1
InChIInChI=1S/C5H7NS/c1-6-2-4-7-5-3-6/h2-5H,1H3
InChIKeyOXTXLGBBFDJPBV-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4-thiazine 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 4-methyl-1,4-thiazine?
The IUPAC name of 4-methyl-1,4-thiazine (CID 21356955) is 4-methyl-1,4-thiazine.
What is the SMILES notation for 4-methyl-1,4-thiazine?
The canonical SMILES for 4-methyl-1,4-thiazine is CN1C=CSC=C1.
What is the InChIKey of 4-methyl-1,4-thiazine?
The InChIKey is OXTXLGBBFDJPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-6-2-4-7-5-3-6/h2-5H,1H3.
What are the key properties of 4-methyl-1,4-thiazine?
4-methyl-1,4-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-thiazine is sourced from PubChem (CID 21356955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).