hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate

C5H8N4O2S2 — CID 66337521

IUPAChydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
SMILESNNOC(=O)CCSc1nncs1
InChIInChI=1S/C5H8N4O2S2/c6-9-11-4(10)1-2-12-5-8-7-3-13-5/h3,9H,1-2,6H2
InChIKeyVLPULSCLEYUVIF-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.06
Rot. Bonds5

About hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate

hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate (PubChem CID 66337521) has the molecular formula C5H8N4O2S2 and a molecular weight of 220.28 g/mol. Its IUPAC name is hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
PubChem CID66337521
Molecular FormulaC5H8N4O2S2
Molecular Weight220.28 g/mol
Exact Mass220.01
IUPAC Namehydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
SMILESNNOC(=O)CCSc1nncs1
InChIInChI=1S/C5H8N4O2S2/c6-9-11-4(10)1-2-12-5-8-7-3-13-5/h3,9H,1-2,6H2
InChIKeyVLPULSCLEYUVIF-UHFFFAOYSA-N
XLogP-0.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The IUPAC name of hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate (CID 66337521) is hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate.
What is the SMILES notation for hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The canonical SMILES for hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate is NNOC(=O)CCSc1nncs1.
What is the InChIKey of hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
The InChIKey is VLPULSCLEYUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S2/c6-9-11-4(10)1-2-12-5-8-7-3-13-5/h3,9H,1-2,6H2.
What are the key properties of hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate?
hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate has a molecular weight of 220.28 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate is sourced from PubChem (CID 66337521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).