5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

C18H16ClN3O4S — CID 6738067

IUPAC5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CC
InChIInChI=1S/C18H16ClN3O4S/c1-3-20-18-21(4-2)17(23)16(27-18)10-12-6-8-15(26-12)11-5-7-13(19)14(9-11)22(24)25/h5-10H,3-4H2,1-2H3/b16-10?,20-18+
InChIKeyPZHZCMVYXSFQPS-PCDBVBHLSA-N
MW405.86 g/mol
LogP4.82
Rot. Bonds5

About 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 6738067) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID6738067
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC Name5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CC
InChIInChI=1S/C18H16ClN3O4S/c1-3-20-18-21(4-2)17(23)16(27-18)10-12-6-8-15(26-12)11-5-7-13(19)14(9-11)22(24)25/h5-10H,3-4H2,1-2H3/b16-10?,20-18+
InChIKeyPZHZCMVYXSFQPS-PCDBVBHLSA-N
XLogP4.82
TPSA88.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 4515459
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124641720
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124666747
(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126024709
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126252261
(5E)-3-[(2-bromophenyl)methyl]-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124667446
(5Z)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2716162
3-ethyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1326136
(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 126279983
2-[[(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
CID 126172493
ethyl 2-[5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 2924497
2-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 126161752

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (CID 6738067) is 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1/SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CC.
What is the InChIKey of 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is PZHZCMVYXSFQPS-PCDBVBHLSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-3-20-18-21(4-2)17(23)16(27-18)10-12-6-8-15(26-12)11-5-7-13(19)14(9-11)22(24)25/h5-10H,3-4H2,1-2H3/b16-10?,20-18+.
What are the key properties of 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 405.86 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 6738067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).