fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate

C10H10FN3O2S — CID 168995157

IUPACfluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate
SMILESNC(=S)N/N=C(/CC(=O)OF)c1ccccc1
InChIInChI=1S/C10H10FN3O2S/c11-16-9(15)6-8(13-14-10(12)17)7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,14,17)/b13-8-
InChIKeyRLEPHBWTWZGXHE-JYRVWZFOSA-N
MW255.27 g/mol
LogP1.04
Rot. Bonds4

About fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate

fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate (PubChem CID 168995157) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate.

Molecular Properties

Compound Namefluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate
PubChem CID168995157
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC Namefluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate
SMILESNC(=S)N/N=C(/CC(=O)OF)c1ccccc1
InChIInChI=1S/C10H10FN3O2S/c11-16-9(15)6-8(13-14-10(12)17)7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,14,17)/b13-8-
InChIKeyRLEPHBWTWZGXHE-JYRVWZFOSA-N
XLogP1.04
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate 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 fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate?
The IUPAC name of fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate (CID 168995157) is fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate.
What is the SMILES notation for fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate?
The canonical SMILES for fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate is NC(=S)N/N=C(/CC(=O)OF)c1ccccc1.
What is the InChIKey of fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate?
The InChIKey is RLEPHBWTWZGXHE-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c11-16-9(15)6-8(13-14-10(12)17)7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,14,17)/b13-8-.
What are the key properties of fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate?
fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate has a molecular weight of 255.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (3Z)-3-(carbamothioylhydrazinylidene)-3-phenylpropanoate is sourced from PubChem (CID 168995157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).