3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine

C7H13NS — CID 55287252

IUPAC3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C)SCC(C)N1
InChIInChI=1S/C7H13NS/c1-5-4-9-7(3)6(2)8-5/h5,8H,4H2,1-3H3
InChIKeyNBRNZWNOXJGRMO-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.96
Rot. Bonds

About 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine

3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 55287252) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID55287252
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C)SCC(C)N1
InChIInChI=1S/C7H13NS/c1-5-4-9-7(3)6(2)8-5/h5,8H,4H2,1-3H3
InChIKeyNBRNZWNOXJGRMO-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5,6-trimethyl-3,4-dihydro-2H-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 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine (CID 55287252) is 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine is CC1=C(C)SCC(C)N1.
What is the InChIKey of 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is NBRNZWNOXJGRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-4-9-7(3)6(2)8-5/h5,8H,4H2,1-3H3.
What are the key properties of 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine?
3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 143.25 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 55287252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).