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

C13H11N3OS2 — CID 112596212

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C13H11N3OS2/c14-13-16-15-12(19-13)7-18-11-6-5-10(17)8-3-1-2-4-9(8)11/h1-6,17H,7H2,(H2,14,16)
InChIKeyYLQOFCBCWCBBKI-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.27
Rot. Bonds3

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

4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol (PubChem CID 112596212) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
PubChem CID112596212
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol
SMILESNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C13H11N3OS2/c14-13-16-15-12(19-13)7-18-11-6-5-10(17)8-3-1-2-4-9(8)11/h1-6,17H,7H2,(H2,14,16)
InChIKeyYLQOFCBCWCBBKI-UHFFFAOYSA-N
XLogP3.27
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol (CID 112596212) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol is Nc1nnc(CSc2ccc(O)c3ccccc23)s1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
The InChIKey is YLQOFCBCWCBBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c14-13-16-15-12(19-13)7-18-11-6-5-10(17)8-3-1-2-4-9(8)11/h1-6,17H,7H2,(H2,14,16).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol?
4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol has a molecular weight of 289.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 112596212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).