5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C13H11N3S2 — CID 673940

IUPAC5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cccc3ccccc23)s1
InChIInChI=1S/C13H11N3S2/c14-12-15-16-13(18-12)17-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,15)
InChIKeyFVZXNLYVWPHMAT-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.57
Rot. Bonds3

About 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 673940) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID673940
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cccc3ccccc23)s1
InChIInChI=1S/C13H11N3S2/c14-12-15-16-13(18-12)17-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,15)
InChIKeyFVZXNLYVWPHMAT-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 673940) is 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cccc3ccccc23)s1.
What is the InChIKey of 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FVZXNLYVWPHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c14-12-15-16-13(18-12)17-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,14,15).
What are the key properties of 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 273.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 673940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).