4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione

C13H9FN4OS2 — CID 9295789

IUPAC4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESFc1ccccc1-c1ccc(/C=N\n2c(=S)[nH][nH]c2=S)o1
InChIInChI=1S/C13H9FN4OS2/c14-10-4-2-1-3-9(10)11-6-5-8(19-11)7-15-18-12(20)16-17-13(18)21/h1-7H,(H,16,20)(H,17,21)/b15-7-
InChIKeyLRKWZRRVKWEKDT-CHHVJCJISA-N
MW320.37 g/mol
LogP3.88
Rot. Bonds3

About 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione

4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione (PubChem CID 9295789) has the molecular formula C13H9FN4OS2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
PubChem CID9295789
Molecular FormulaC13H9FN4OS2
Molecular Weight320.37 g/mol
Exact Mass320.02
IUPAC Name4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESFc1ccccc1-c1ccc(/C=N\n2c(=S)[nH][nH]c2=S)o1
InChIInChI=1S/C13H9FN4OS2/c14-10-4-2-1-3-9(10)11-6-5-8(19-11)7-15-18-12(20)16-17-13(18)21/h1-7H,(H,16,20)(H,17,21)/b15-7-
InChIKeyLRKWZRRVKWEKDT-CHHVJCJISA-N
XLogP3.88
TPSA62.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one
CID 9031963
6-amino-1-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylpyridin-2-one
CID 9025204
7-chloro-3-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9155005
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 9150506
4-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 135510135
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 2002760
4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 10498243
(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839852
3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
CID 77040477
5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135500177

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione (CID 9295789) is 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione is Fc1ccccc1-c1ccc(/C=N\n2c(=S)[nH][nH]c2=S)o1.
What is the InChIKey of 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The InChIKey is LRKWZRRVKWEKDT-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9FN4OS2/c14-10-4-2-1-3-9(10)11-6-5-8(19-11)7-15-18-12(20)16-17-13(18)21/h1-7H,(H,16,20)(H,17,21)/b15-7-.
What are the key properties of 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione?
4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione has a molecular weight of 320.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 9295789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).