N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine

C14H9FN4O3S2 — CID 16588935

IUPACN-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESO=[N+]([O-])c1ccc(/C=C/Sc2nnc(Nc3ccccc3F)s2)o1
InChIInChI=1S/C14H9FN4O3S2/c15-10-3-1-2-4-11(10)16-13-17-18-14(24-13)23-8-7-9-5-6-12(22-9)19(20)21/h1-8H,(H,16,17)/b8-7+
InChIKeyICWXXYIOEMPPPJ-BQYQJAHWSA-N
MW364.38 g/mol
LogP4.68
Rot. Bonds6

About N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine

N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 16588935) has the molecular formula C14H9FN4O3S2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID16588935
Molecular FormulaC14H9FN4O3S2
Molecular Weight364.38 g/mol
Exact Mass364.01
IUPAC NameN-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESO=[N+]([O-])c1ccc(/C=C/Sc2nnc(Nc3ccccc3F)s2)o1
InChIInChI=1S/C14H9FN4O3S2/c15-10-3-1-2-4-11(10)16-13-17-18-14(24-13)23-8-7-9-5-6-12(22-9)19(20)21/h1-8H,(H,16,17)/b8-7+
InChIKeyICWXXYIOEMPPPJ-BQYQJAHWSA-N
XLogP4.68
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 16588935) is N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine is O=[N+]([O-])c1ccc(/C=C/Sc2nnc(Nc3ccccc3F)s2)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ICWXXYIOEMPPPJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H9FN4O3S2/c15-10-3-1-2-4-11(10)16-13-17-18-14(24-13)23-8-7-9-5-6-12(22-9)19(20)21/h1-8H,(H,16,17)/b8-7+.
What are the key properties of N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 364.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 16588935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).