2,4-dimethyl-1,4-thiazine

C6H9NS — CID 138478354

IUPAC2,4-dimethyl-1,4-thiazine
SMILESCC1=CN(C)C=CS1
InChIInChI=1S/C6H9NS/c1-6-5-7(2)3-4-8-6/h3-5H,1-2H3
InChIKeyPRYINQMXAMGTBH-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.00
Rot. Bonds

About 2,4-dimethyl-1,4-thiazine

2,4-dimethyl-1,4-thiazine (PubChem CID 138478354) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-thiazine.

Molecular Properties

Compound Name2,4-dimethyl-1,4-thiazine
PubChem CID138478354
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2,4-dimethyl-1,4-thiazine
SMILESCC1=CN(C)C=CS1
InChIInChI=1S/C6H9NS/c1-6-5-7(2)3-4-8-6/h3-5H,1-2H3
InChIKeyPRYINQMXAMGTBH-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-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 2,4-dimethyl-1,4-thiazine?
The IUPAC name of 2,4-dimethyl-1,4-thiazine (CID 138478354) is 2,4-dimethyl-1,4-thiazine.
What is the SMILES notation for 2,4-dimethyl-1,4-thiazine?
The canonical SMILES for 2,4-dimethyl-1,4-thiazine is CC1=CN(C)C=CS1.
What is the InChIKey of 2,4-dimethyl-1,4-thiazine?
The InChIKey is PRYINQMXAMGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-6-5-7(2)3-4-8-6/h3-5H,1-2H3.
What are the key properties of 2,4-dimethyl-1,4-thiazine?
2,4-dimethyl-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-thiazine is sourced from PubChem (CID 138478354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).