2-methylidene-1,3-thiazine

C5H5NS — CID 59114601

IUPAC2-methylidene-1,3-thiazine
SMILESC=C1N=CC=CS1
InChIInChI=1S/C5H5NS/c1-5-6-3-2-4-7-5/h2-4H,1H2
InChIKeyBQVSXCCGMSKVTC-UHFFFAOYSA-N
MW111.17 g/mol
LogP1.79
Rot. Bonds

About 2-methylidene-1,3-thiazine

2-methylidene-1,3-thiazine (PubChem CID 59114601) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol. Its IUPAC name is 2-methylidene-1,3-thiazine.

Molecular Properties

Compound Name2-methylidene-1,3-thiazine
PubChem CID59114601
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Name2-methylidene-1,3-thiazine
SMILESC=C1N=CC=CS1
InChIInChI=1S/C5H5NS/c1-5-6-3-2-4-7-5/h2-4H,1H2
InChIKeyBQVSXCCGMSKVTC-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-thiazine?
The IUPAC name of 2-methylidene-1,3-thiazine (CID 59114601) is 2-methylidene-1,3-thiazine.
What is the SMILES notation for 2-methylidene-1,3-thiazine?
The canonical SMILES for 2-methylidene-1,3-thiazine is C=C1N=CC=CS1.
What is the InChIKey of 2-methylidene-1,3-thiazine?
The InChIKey is BQVSXCCGMSKVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS/c1-5-6-3-2-4-7-5/h2-4H,1H2.
What are the key properties of 2-methylidene-1,3-thiazine?
2-methylidene-1,3-thiazine has a molecular weight of 111.17 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-thiazine is sourced from PubChem (CID 59114601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).