4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol

C13H12N4OS2 — CID 115945404

IUPAC4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESNNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C13H12N4OS2/c14-15-13-17-16-12(20-13)7-19-11-6-5-10(18)8-3-1-2-4-9(8)11/h1-6,18H,7,14H2,(H,15,17)
InChIKeyCTYGYPVQBOITAQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.97
Rot. Bonds4

About 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol

4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 115945404) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID115945404
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESNNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C13H12N4OS2/c14-15-13-17-16-12(20-13)7-19-11-6-5-10(18)8-3-1-2-4-9(8)11/h1-6,18H,7,14H2,(H,15,17)
InChIKeyCTYGYPVQBOITAQ-UHFFFAOYSA-N
XLogP2.97
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol (CID 115945404) is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol is NNc1nnc(CSc2ccc(O)c3ccccc23)s1.
What is the InChIKey of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is CTYGYPVQBOITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c14-15-13-17-16-12(20-13)7-19-11-6-5-10(18)8-3-1-2-4-9(8)11/h1-6,18H,7,14H2,(H,15,17).
What are the key properties of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 304.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).