2-ethyl-4H-1,4-thiazine

C6H9NS — CID 134213216

IUPAC2-ethyl-4H-1,4-thiazine
SMILESCCC1=CNC=CS1
InChIInChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3
InChIKeyTXBHHZYOLJJTRI-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds1

About 2-ethyl-4H-1,4-thiazine

2-ethyl-4H-1,4-thiazine (PubChem CID 134213216) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2-ethyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-ethyl-4H-1,4-thiazine
PubChem CID134213216
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2-ethyl-4H-1,4-thiazine
SMILESCCC1=CNC=CS1
InChIInChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3
InChIKeyTXBHHZYOLJJTRI-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4H-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-ethyl-4H-1,4-thiazine?
The IUPAC name of 2-ethyl-4H-1,4-thiazine (CID 134213216) is 2-ethyl-4H-1,4-thiazine.
What is the SMILES notation for 2-ethyl-4H-1,4-thiazine?
The canonical SMILES for 2-ethyl-4H-1,4-thiazine is CCC1=CNC=CS1.
What is the InChIKey of 2-ethyl-4H-1,4-thiazine?
The InChIKey is TXBHHZYOLJJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-2-6-5-7-3-4-8-6/h3-5,7H,2H2,1H3.
What are the key properties of 2-ethyl-4H-1,4-thiazine?
2-ethyl-4H-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-1,4-thiazine is sourced from PubChem (CID 134213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).