4-ethyl-2-methyl-4H-1,3-thiazine

C7H11NS — CID 126757121

IUPAC4-ethyl-2-methyl-4H-1,3-thiazine
SMILESCCC1C=CSC(C)=N1
InChIInChI=1S/C7H11NS/c1-3-7-4-5-9-6(2)8-7/h4-5,7H,3H2,1-2H3
InChIKeyVZPMMGUGYUZJJU-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.44
Rot. Bonds1

About 4-ethyl-2-methyl-4H-1,3-thiazine

4-ethyl-2-methyl-4H-1,3-thiazine (PubChem CID 126757121) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-ethyl-2-methyl-4H-1,3-thiazine.

Molecular Properties

Compound Name4-ethyl-2-methyl-4H-1,3-thiazine
PubChem CID126757121
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-ethyl-2-methyl-4H-1,3-thiazine
SMILESCCC1C=CSC(C)=N1
InChIInChI=1S/C7H11NS/c1-3-7-4-5-9-6(2)8-7/h4-5,7H,3H2,1-2H3
InChIKeyVZPMMGUGYUZJJU-UHFFFAOYSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-methyl-4H-1,3-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 4-ethyl-2-methyl-4H-1,3-thiazine?
The IUPAC name of 4-ethyl-2-methyl-4H-1,3-thiazine (CID 126757121) is 4-ethyl-2-methyl-4H-1,3-thiazine.
What is the SMILES notation for 4-ethyl-2-methyl-4H-1,3-thiazine?
The canonical SMILES for 4-ethyl-2-methyl-4H-1,3-thiazine is CCC1C=CSC(C)=N1.
What is the InChIKey of 4-ethyl-2-methyl-4H-1,3-thiazine?
The InChIKey is VZPMMGUGYUZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-7-4-5-9-6(2)8-7/h4-5,7H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-4H-1,3-thiazine?
4-ethyl-2-methyl-4H-1,3-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-4H-1,3-thiazine is sourced from PubChem (CID 126757121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).