4-methylidene-1,3-thiazolidine

C4H7NS — CID 88990272

IUPAC4-methylidene-1,3-thiazolidine
SMILESC=C1CSCN1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h5H,1-3H2
InChIKeyXDFBMAXXHOYWBS-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.79
Rot. Bonds

About 4-methylidene-1,3-thiazolidine

4-methylidene-1,3-thiazolidine (PubChem CID 88990272) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 4-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name4-methylidene-1,3-thiazolidine
PubChem CID88990272
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name4-methylidene-1,3-thiazolidine
SMILESC=C1CSCN1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h5H,1-3H2
InChIKeyXDFBMAXXHOYWBS-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,3-thiazolidine?
The IUPAC name of 4-methylidene-1,3-thiazolidine (CID 88990272) is 4-methylidene-1,3-thiazolidine.
What is the SMILES notation for 4-methylidene-1,3-thiazolidine?
The canonical SMILES for 4-methylidene-1,3-thiazolidine is C=C1CSCN1.
What is the InChIKey of 4-methylidene-1,3-thiazolidine?
The InChIKey is XDFBMAXXHOYWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h5H,1-3H2.
What are the key properties of 4-methylidene-1,3-thiazolidine?
4-methylidene-1,3-thiazolidine has a molecular weight of 101.17 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3-thiazolidine is sourced from PubChem (CID 88990272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).