(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C19H11Cl2NO3S2 — CID 1308197

IUPAC(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccco1
InChIInChI=1S/C19H11Cl2NO3S2/c20-14-5-1-4-13(17(14)21)15-7-6-11(25-15)9-16-18(23)22(19(26)27-16)10-12-3-2-8-24-12/h1-9H,10H2/b16-9-
InChIKeyWCQDBZZDDFJZDJ-SXGWCWSVSA-N
MW436.34 g/mol
LogP6.25
Rot. Bonds4

About (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1308197) has the molecular formula C19H11Cl2NO3S2 and a molecular weight of 436.34 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1308197
Molecular FormulaC19H11Cl2NO3S2
Molecular Weight436.34 g/mol
Exact Mass434.96
IUPAC Name(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccco1
InChIInChI=1S/C19H11Cl2NO3S2/c20-14-5-1-4-13(17(14)21)15-7-6-11(25-15)9-16-18(23)22(19(26)27-16)10-12-3-2-8-24-12/h1-9H,10H2/b16-9-
InChIKeyWCQDBZZDDFJZDJ-SXGWCWSVSA-N
XLogP6.25
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.25
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

2-[5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 3099532
(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6136473
(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
6-[5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 3444181
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191794
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126088874
3-(furan-2-ylmethyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1205840
(5Z)-3-(4-chlorophenyl)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124650484
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
CID 126218535
3-[(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1205717
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6281310

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1308197) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1Cc1ccco1.
What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WCQDBZZDDFJZDJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H11Cl2NO3S2/c20-14-5-1-4-13(17(14)21)15-7-6-11(25-15)9-16-18(23)22(19(26)27-16)10-12-3-2-8-24-12/h1-9H,10H2/b16-9-.
What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 436.34 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1308197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).