3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide

C11H13N5OS2 — CID 64560562

IUPAC3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H13N5OS2/c12-10-15-16-11(19-10)18-6-8(9(17)14-13)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H2,12,15)(H,14,17)
InChIKeyVDEKAPVHHZKYJW-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.99
Rot. Bonds5

About 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide

3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide (PubChem CID 64560562) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
PubChem CID64560562
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC Name3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide
SMILESNNC(=O)C(CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H13N5OS2/c12-10-15-16-11(19-10)18-6-8(9(17)14-13)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H2,12,15)(H,14,17)
InChIKeyVDEKAPVHHZKYJW-UHFFFAOYSA-N
XLogP0.99
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide 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-phenyl-3-pyridin-2-ylsulfanylpropanehydrazide
CID 64561520
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpropanehydrazide
CID 64560177
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N,2-diphenylacetamide
CID 24557252
3-(2-amino-6-chlorophenyl)sulfanyl-2-phenylpropanehydrazide
CID 64558643
methyl (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate
CID 7321600
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpropanehydrazide
CID 64560762
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide
CID 30687916
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 134038099
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-phenylpropanehydrazide
CID 64559984
3-(2-aminobutylsulfanyl)-2-phenylpropanehydrazide
CID 66227938
2-(3-hydrazinyl-3-oxo-2-phenylpropyl)sulfanyl-N-methylacetamide
CID 114232081

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide?
The IUPAC name of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide (CID 64560562) is 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide.
What is the SMILES notation for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide?
The canonical SMILES for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide is NNC(=O)C(CSc1nnc(N)s1)c1ccccc1.
What is the InChIKey of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide?
The InChIKey is VDEKAPVHHZKYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c12-10-15-16-11(19-10)18-6-8(9(17)14-13)7-4-2-1-3-5-7/h1-5,8H,6,13H2,(H2,12,15)(H,14,17).
What are the key properties of 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide?
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide has a molecular weight of 295.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylpropanehydrazide is sourced from PubChem (CID 64560562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).