[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine

C9H8Cl2N4S2 — CID 80614715

IUPAC[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C9H8Cl2N4S2/c10-5-1-2-6(11)7(3-5)16-4-8-14-15-9(13-12)17-8/h1-3H,4,12H2,(H,13,15)
InChIKeySSMWVMWIMNPPMX-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.42
Rot. Bonds4

About [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614715) has the molecular formula C9H8Cl2N4S2 and a molecular weight of 307.23 g/mol. Its IUPAC name is [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614715
Molecular FormulaC9H8Cl2N4S2
Molecular Weight307.23 g/mol
Exact Mass305.96
IUPAC Name[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C9H8Cl2N4S2/c10-5-1-2-6(11)7(3-5)16-4-8-14-15-9(13-12)17-8/h1-3H,4,12H2,(H,13,15)
InChIKeySSMWVMWIMNPPMX-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614715) is [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(CSc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is SSMWVMWIMNPPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4S2/c10-5-1-2-6(11)7(3-5)16-4-8-14-15-9(13-12)17-8/h1-3H,4,12H2,(H,13,15).
What are the key properties of [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 307.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).