3,5-dimethyl-6H-thiazine

C6H9NS — CID 165130291

IUPAC3,5-dimethyl-6H-thiazine
SMILESCC1=CC(C)=NSC1
InChIInChI=1S/C6H9NS/c1-5-3-6(2)7-8-4-5/h3H,4H2,1-2H3
InChIKeyCOARWSWWHNRQLW-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.06
Rot. Bonds

About 3,5-dimethyl-6H-thiazine

3,5-dimethyl-6H-thiazine (PubChem CID 165130291) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3,5-dimethyl-6H-thiazine.

Molecular Properties

Compound Name3,5-dimethyl-6H-thiazine
PubChem CID165130291
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3,5-dimethyl-6H-thiazine
SMILESCC1=CC(C)=NSC1
InChIInChI=1S/C6H9NS/c1-5-3-6(2)7-8-4-5/h3H,4H2,1-2H3
InChIKeyCOARWSWWHNRQLW-UHFFFAOYSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-6H-thiazine with MolForge

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

Launch Full Analysis

Related Compounds

3-propan-2-yl-6H-thiazine
CID 20700904
3-methyl-N-methylsulfanylpent-3-en-2-imine
CID 123885621
3,6,6-Trimethylthiazine
CID 138706723
(E)-2-methyl-4-methyliminopent-2-ene-1-thiol
CID 145039513
3,6-dimethyl-6H-thiazine
CID 148599841
3,4-Dimethylthiazepine
CID 151356754
N-(4-methylpent-3-en-2-ylidene)thiohydroxylamine
CID 158484748
3,5-dimethyl-6H-thiazine;ethane
CID 165130290

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6H-thiazine?
The IUPAC name of 3,5-dimethyl-6H-thiazine (CID 165130291) is 3,5-dimethyl-6H-thiazine.
What is the SMILES notation for 3,5-dimethyl-6H-thiazine?
The canonical SMILES for 3,5-dimethyl-6H-thiazine is CC1=CC(C)=NSC1.
What is the InChIKey of 3,5-dimethyl-6H-thiazine?
The InChIKey is COARWSWWHNRQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-6(2)7-8-4-5/h3H,4H2,1-2H3.
What are the key properties of 3,5-dimethyl-6H-thiazine?
3,5-dimethyl-6H-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6H-thiazine is sourced from PubChem (CID 165130291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).