(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

C16H14N4O2S2 — CID 18845962

IUPAC(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1nnc(C)s1
InChIInChI=1S/C16H14N4O2S2/c1-3-9-20-14(21)13(8-4-6-12-7-5-10-22-12)24-16(20)17-15-19-18-11(2)23-15/h3-8,10H,1,9H2,2H3/b6-4+,13-8+,17-16+
InChIKeyVTPFSDXPBCFXSE-XJEFDCFKSA-N
MW358.45 g/mol
LogP3.79
Rot. Bonds5

About (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18845962) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID18845962
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1nnc(C)s1
InChIInChI=1S/C16H14N4O2S2/c1-3-9-20-14(21)13(8-4-6-12-7-5-10-22-12)24-16(20)17-15-19-18-11(2)23-15/h3-8,10H,1,9H2,2H3/b6-4+,13-8+,17-16+
InChIKeyVTPFSDXPBCFXSE-XJEFDCFKSA-N
XLogP3.79
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5051464
(2E,5E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18845963
(5E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-(naphthalen-1-ylmethylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559806
(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845972
(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845958
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559372
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7559826
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845938
(2E,5Z)-5-[1-(3-aminophenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18846010
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241743
(5Z)-2-(4-hydroxyphenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 6392227

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18845962) is (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C\C=C\c2ccco2)S/C1=N/c1nnc(C)s1.
What is the InChIKey of (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is VTPFSDXPBCFXSE-XJEFDCFKSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c1-3-9-20-14(21)13(8-4-6-12-7-5-10-22-12)24-16(20)17-15-19-18-11(2)23-15/h3-8,10H,1,9H2,2H3/b6-4+,13-8+,17-16+.
What are the key properties of (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 358.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).