[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine

C12H14N4S2 — CID 80625386

IUPAC[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H14N4S2/c13-14-12-16-15-11(18-12)7-17-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7,13H2,(H,14,16)
InChIKeySTRGKVPQCDBYDQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.60
Rot. Bonds4

About [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80625386) has the molecular formula C12H14N4S2 and a molecular weight of 278.41 g/mol. Its IUPAC name is [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80625386
Molecular FormulaC12H14N4S2
Molecular Weight278.41 g/mol
Exact Mass278.07
IUPAC Name[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C12H14N4S2/c13-14-12-16-15-11(18-12)7-17-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7,13H2,(H,14,16)
InChIKeySTRGKVPQCDBYDQ-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.60
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-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80625386) is [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(CSc2ccc3c(c2)CCC3)s1.
What is the InChIKey of [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is STRGKVPQCDBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S2/c13-14-12-16-15-11(18-12)7-17-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7,13H2,(H,14,16).
What are the key properties of [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 278.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80625386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).