(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C14H15NO2S2 — CID 1275127

IUPAC(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccco2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C14H15NO2S2/c16-13-12(9-11-7-4-8-17-11)19-14(18)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9+
InChIKeyAHCFSONFGAHXEN-FMIVXFBMSA-N
MW293.41 g/mol
LogP3.81
Rot. Bonds2

About (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1275127) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1275127
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccco2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C14H15NO2S2/c16-13-12(9-11-7-4-8-17-11)19-14(18)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9+
InChIKeyAHCFSONFGAHXEN-FMIVXFBMSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-Furfuryl-rhodanine
CID 557397
2-((5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
CID 1201118
5-Cyclohexylidene-3-(furan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1346866
4-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2044775
2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
CID 5994065
2-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
CID 6393068
(5Z)-5-(furan-2-ylmethylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 5855603
3-(1,1-Dioxo-4H-thiophen-3-YL)-5-furan-2-ylmethylene-2-thioxo-thiazolidin-4-one
CID 16410997
4-(5-(Furan-2-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CID 1201156
Thiazolidin-4-one, 5-[3-(2-furyl)prop-2-enylidene]-3-methyl-2-thioxo-
CID 1589042
2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
3-Benzyl-5-[(5-methyl-2-furyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CID 1328586

Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1275127) is (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccco2)SC(=S)N1C1CCCCC1.
What is the InChIKey of (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is AHCFSONFGAHXEN-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H15NO2S2/c16-13-12(9-11-7-4-8-17-11)19-14(18)15(13)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2/b12-9+.
What are the key properties of (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 293.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1275127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).