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

C13H14N2O3S2 — CID 3851654

IUPAC5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccco2)SC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H14N2O3S2/c16-12-11(8-10-2-1-5-18-10)20-13(19)15(12)9-14-3-6-17-7-4-14/h1-2,5,8H,3-4,6-7,9H2
InChIKeySNDLOETZNIYFGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.77
Rot. Bonds3

About 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3851654) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3851654
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccco2)SC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H14N2O3S2/c16-12-11(8-10-2-1-5-18-10)20-13(19)15(12)9-14-3-6-17-7-4-14/h1-2,5,8H,3-4,6-7,9H2
InChIKeySNDLOETZNIYFGA-UHFFFAOYSA-N
XLogP1.77
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(5E)-5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6182404
5-(furan-2-ylmethylidene)-3-(4-morpholin-4-yl-4-oxobutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4759920
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1348910
(5E)-5-[(4-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1205513
2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 1201117
3-benzyl-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268875
(5Z)-3-(morpholin-4-ylmethyl)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1271882
3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-[3-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]propanehydrazide
CID 4759896
3-(morpholin-4-ylmethyl)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3142829
10-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]decanoic acid
CID 27429325
5-(furan-2-ylmethylidene)-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7157797
cyclohexyl 2-[5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2793259

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3851654) is 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2ccco2)SC(=S)N1CN1CCOCC1.
What is the InChIKey of 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SNDLOETZNIYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-12-11(8-10-2-1-5-18-10)20-13(19)15(12)9-14-3-6-17-7-4-14/h1-2,5,8H,3-4,6-7,9H2.
What are the key properties of 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylidene)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3851654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).