2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

C8H8N4O2S2 — CID 63581538

IUPAC2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nncs1
InChIInChI=1S/C8H8N4O2S2/c9-11-7(13)5-1-2-14-6(5)3-15-8-12-10-4-16-8/h1-2,4H,3,9H2,(H,11,13)
InChIKeyOIFGJLWQUHTTGS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.03
Rot. Bonds4

About 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63581538) has the molecular formula C8H8N4O2S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63581538
Molecular FormulaC8H8N4O2S2
Molecular Weight256.31 g/mol
Exact Mass256.01
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nncs1
InChIInChI=1S/C8H8N4O2S2/c9-11-7(13)5-1-2-14-6(5)3-15-8-12-10-4-16-8/h1-2,4H,3,9H2,(H,11,13)
InChIKeyOIFGJLWQUHTTGS-UHFFFAOYSA-N
XLogP1.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63581538) is 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is OIFGJLWQUHTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S2/c9-11-7(13)5-1-2-14-6(5)3-15-8-12-10-4-16-8/h1-2,4H,3,9H2,(H,11,13).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 256.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63581538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).