2-methylidene-3,4-dihydro-1,3-thiazine

C5H7NS — CID 59114551

IUPAC2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=C1NCC=CS1
InChIInChI=1S/C5H7NS/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2
InChIKeyAZUQATFKQQXFCS-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.31
Rot. Bonds

About 2-methylidene-3,4-dihydro-1,3-thiazine

2-methylidene-3,4-dihydro-1,3-thiazine (PubChem CID 59114551) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2-methylidene-3,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name2-methylidene-3,4-dihydro-1,3-thiazine
PubChem CID59114551
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=C1NCC=CS1
InChIInChI=1S/C5H7NS/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2
InChIKeyAZUQATFKQQXFCS-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylidene-3,4-dihydro-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 2-methylidene-3,4-dihydro-1,3-thiazine?
The IUPAC name of 2-methylidene-3,4-dihydro-1,3-thiazine (CID 59114551) is 2-methylidene-3,4-dihydro-1,3-thiazine.
What is the SMILES notation for 2-methylidene-3,4-dihydro-1,3-thiazine?
The canonical SMILES for 2-methylidene-3,4-dihydro-1,3-thiazine is C=C1NCC=CS1.
What is the InChIKey of 2-methylidene-3,4-dihydro-1,3-thiazine?
The InChIKey is AZUQATFKQQXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2.
What are the key properties of 2-methylidene-3,4-dihydro-1,3-thiazine?
2-methylidene-3,4-dihydro-1,3-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4-dihydro-1,3-thiazine is sourced from PubChem (CID 59114551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).