2,3-diethyl-4H-1,4-thiazine

C8H13NS — CID 173176710

IUPAC2,3-diethyl-4H-1,4-thiazine
SMILESCCC1=C(CC)SC=CN1
InChIInChI=1S/C8H13NS/c1-3-7-8(4-2)10-6-5-9-7/h5-6,9H,3-4H2,1-2H3
InChIKeyLTXYWKCNNSVXDM-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.83
Rot. Bonds2

About 2,3-diethyl-4H-1,4-thiazine

2,3-diethyl-4H-1,4-thiazine (PubChem CID 173176710) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,3-diethyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2,3-diethyl-4H-1,4-thiazine
PubChem CID173176710
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,3-diethyl-4H-1,4-thiazine
SMILESCCC1=C(CC)SC=CN1
InChIInChI=1S/C8H13NS/c1-3-7-8(4-2)10-6-5-9-7/h5-6,9H,3-4H2,1-2H3
InChIKeyLTXYWKCNNSVXDM-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-diethyl-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 2,3-diethyl-4H-1,4-thiazine?
The IUPAC name of 2,3-diethyl-4H-1,4-thiazine (CID 173176710) is 2,3-diethyl-4H-1,4-thiazine.
What is the SMILES notation for 2,3-diethyl-4H-1,4-thiazine?
The canonical SMILES for 2,3-diethyl-4H-1,4-thiazine is CCC1=C(CC)SC=CN1.
What is the InChIKey of 2,3-diethyl-4H-1,4-thiazine?
The InChIKey is LTXYWKCNNSVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-7-8(4-2)10-6-5-9-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-4H-1,4-thiazine?
2,3-diethyl-4H-1,4-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4H-1,4-thiazine is sourced from PubChem (CID 173176710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).