1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone

C6H9NOS — CID 568138

IUPAC1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone
SMILESC=C1SCCN1C(C)=O
InChIInChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3
InChIKeyKMVUUFPCPWCWFN-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.05
Rot. Bonds

About 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone

1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone (PubChem CID 568138) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone
PubChem CID568138
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone
SMILESC=C1SCCN1C(C)=O
InChIInChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3
InChIKeyKMVUUFPCPWCWFN-UHFFFAOYSA-N
XLogP1.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone 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 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone (CID 568138) is 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone is C=C1SCCN1C(C)=O.
What is the InChIKey of 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is KMVUUFPCPWCWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(8)7-3-4-9-6(7)2/h2-4H2,1H3.
What are the key properties of 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone?
1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 143.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidene-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 568138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).