(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C9H7N3OS2 — CID 2329757

IUPAC(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nncs1
InChIInChI=1S/C9H7N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+
InChIKeyHGXRCVYBSRAKOW-ONEGZZNKSA-N
MW237.31 g/mol
LogP2.25
Rot. Bonds3

About (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 2329757) has the molecular formula C9H7N3OS2 and a molecular weight of 237.31 g/mol. Its IUPAC name is (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID2329757
Molecular FormulaC9H7N3OS2
Molecular Weight237.31 g/mol
Exact Mass237.00
IUPAC Name(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nncs1
InChIInChI=1S/C9H7N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+
InChIKeyHGXRCVYBSRAKOW-ONEGZZNKSA-N
XLogP2.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide 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 (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 2329757) is (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nncs1.
What is the InChIKey of (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HGXRCVYBSRAKOW-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H7N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-6H,(H,11,12,13)/b4-3+.
What are the key properties of (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 237.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2329757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).