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

C14H10N2O2S2 — CID 1372564

IUPAC(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccco1
InChIInChI=1S/C14H10N2O2S2/c17-13-12(7-10-3-1-5-15-8-10)20-14(19)16(13)9-11-4-2-6-18-11/h1-8H,9H2/b12-7-
InChIKeyRCSBRBMXPZDRNQ-GHXNOFRVSA-N
MW302.38 g/mol
LogP3.08
Rot. Bonds3

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

(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1372564) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1372564
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccco1
InChIInChI=1S/C14H10N2O2S2/c17-13-12(7-10-3-1-5-15-8-10)20-14(19)16(13)9-11-4-2-6-18-11/h1-8H,9H2/b12-7-
InChIKeyRCSBRBMXPZDRNQ-GHXNOFRVSA-N
XLogP3.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-Furfurylpyrrole
CID 15037
1-(2-Cyanoethyl)-3-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 2533954
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
[4-(Furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 695007
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310185
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
(5Z)-5-(furan-2-ylmethylidene)-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1591868
N-[(1Z)-3-[(furan-2-ylmethyl)amino]-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1606763
3-(2-Furylmethyl)-2-(4-pyridinyl)-1,3-thiazolidin-4-one
CID 2999932
furan-2-yl-[(5S)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235407
2-(2-Oxopyrrolidin-1-yl)ethyl 2-[(1-{[(2-furylmethyl)amino]carbonyl}propyl)thio]nicotinate
CID 3243185

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1372564) is (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccnc2)SC(=S)N1Cc1ccco1.
What is the InChIKey of (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RCSBRBMXPZDRNQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c17-13-12(7-10-3-1-5-15-8-10)20-14(19)16(13)9-11-4-2-6-18-11/h1-8H,9H2/b12-7-.
What are the key properties of (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 302.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(furan-2-ylmethyl)-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1372564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).