(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

C11H8N4O2S2 — CID 2176068

IUPAC(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1nnc(C)s1
InChIInChI=1S/C11H8N4O2S2/c1-6-13-14-11(18-6)15-9(16)8(19-10(15)12)5-7-3-2-4-17-7/h2-5,12H,1H3/b8-5-,12-10-
InChIKeyXAOXQSYKBVMLSW-TVYVFBHLSA-N
MW292.34 g/mol
LogP2.50
Rot. Bonds2

About (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 2176068) has the molecular formula C11H8N4O2S2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID2176068
Molecular FormulaC11H8N4O2S2
Molecular Weight292.34 g/mol
Exact Mass292.01
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1nnc(C)s1
InChIInChI=1S/C11H8N4O2S2/c1-6-13-14-11(18-6)15-9(16)8(19-10(15)12)5-7-3-2-4-17-7/h2-5,12H,1H3/b8-5-,12-10-
InChIKeyXAOXQSYKBVMLSW-TVYVFBHLSA-N
XLogP2.50
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(5Z)-5-(furan-2-ylmethylidene)-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 16633519
(5E)-5-(furan-2-ylmethylidene)-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837217
(5Z)-5-(furan-2-ylmethylidene)-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2297106
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
5-(furan-2-ylmethylidene)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 4552618
3-(2-fluorophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3887838
2-imino-5-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methylidene]-3-(1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 91125086
(5Z)-2-imino-5-[(4-nitrofuran-2-yl)methylidene]-3-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 164609649
(5Z)-3-(4-ethylphenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2191779
3-(4-ethoxyphenyl)-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1284167
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633561
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633206

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one (CID 2176068) is (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccco2)C(=O)N1c1nnc(C)s1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is XAOXQSYKBVMLSW-TVYVFBHLSA-N. The full InChI is InChI=1S/C11H8N4O2S2/c1-6-13-14-11(18-6)15-9(16)8(19-10(15)12)5-7-3-2-4-17-7/h2-5,12H,1H3/b8-5-,12-10-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)-2-imino-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2176068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).