3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide

C12H12N4O2S — CID 106399276

IUPAC3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)NCc1ncon1)c1ccccc1
InChIInChI=1S/C12H12N4O2S/c13-11(19)10(8-4-2-1-3-5-8)12(17)14-6-9-15-7-18-16-9/h1-5,7,10H,6H2,(H2,13,19)(H,14,17)
InChIKeyIQGAIWGFRLNURD-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide

3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide (PubChem CID 106399276) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
PubChem CID106399276
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide
SMILESNC(=S)C(C(=O)NCc1ncon1)c1ccccc1
InChIInChI=1S/C12H12N4O2S/c13-11(19)10(8-4-2-1-3-5-8)12(17)14-6-9-15-7-18-16-9/h1-5,7,10H,6H2,(H2,13,19)(H,14,17)
InChIKeyIQGAIWGFRLNURD-UHFFFAOYSA-N
XLogP0.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)-2-phenylacetate
CID 114184126
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
3-amino-N-(2,2-dimethylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877060
(2S)-2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106397147
3-amino-N-[(3-bromophenyl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877573
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
2,3-dihydroxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 114183968
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide (CID 106399276) is 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide is NC(=S)C(C(=O)NCc1ncon1)c1ccccc1.
What is the InChIKey of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide?
The InChIKey is IQGAIWGFRLNURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-11(19)10(8-4-2-1-3-5-8)12(17)14-6-9-15-7-18-16-9/h1-5,7,10H,6H2,(H2,13,19)(H,14,17).
What are the key properties of 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide?
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide has a molecular weight of 276.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 106399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).