(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone

C14H10N2OS2 — CID 102100854

IUPAC(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone
SMILESCSc1snnc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C14H10N2OS2/c1-18-14-12(15-16-19-14)13(17)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyFYVWHNDGNFQIBR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.64
Rot. Bonds3

About (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone

(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone (PubChem CID 102100854) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone
PubChem CID102100854
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Name(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone
SMILESCSc1snnc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C14H10N2OS2/c1-18-14-12(15-16-19-14)13(17)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyFYVWHNDGNFQIBR-UHFFFAOYSA-N
XLogP3.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone (CID 102100854) is (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone is CSc1snnc1C(=O)c1cccc2ccccc12.
What is the InChIKey of (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone?
The InChIKey is FYVWHNDGNFQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS2/c1-18-14-12(15-16-19-14)13(17)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone?
(5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanylthiadiazol-4-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 102100854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).