3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C8H7NO2S2 — CID 557397

IUPAC3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1Cc1ccco1
InChIInChI=1S/C8H7NO2S2/c10-7-5-13-8(12)9(7)4-6-2-1-3-11-6/h1-3H,4-5H2
InChIKeyPOEGXFNVFURMLC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds2

About 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 557397) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID557397
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1Cc1ccco1
InChIInChI=1S/C8H7NO2S2/c10-7-5-13-8(12)9(7)4-6-2-1-3-11-6/h1-3H,4-5H2
InChIKeyPOEGXFNVFURMLC-UHFFFAOYSA-N
XLogP1.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorophenyl)imino-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 2826689
3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 86047599
3-(furan-2-ylmethyl)-2-(1,2,3,4-tetrahydroacridin-9-ylimino)-1,3-thiazolidin-4-one
CID 15358623
3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365442
1,8-dibromo-17-(furan-2-ylmethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 5122182
(3aR,4S,7R,7aR)-2-(furan-2-ylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 27451087
3-(furan-2-ylmethyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1318685
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713
2-(furan-2-ylmethyl)-4,5,6,7-tetraiodoisoindole-1,3-dione
CID 13211644
3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87609559
(5Z)-3-(furan-2-ylmethyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1290545
3-(furan-2-ylmethyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2928154

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 557397) is 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is POEGXFNVFURMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c10-7-5-13-8(12)9(7)4-6-2-1-3-11-6/h1-3H,4-5H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 213.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 557397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).