5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole

C16H10N2S2 — CID 166444836

IUPAC5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole
SMILESc1ccc2cc(Sc3ccc4nsnc4c3)ccc2c1
InChIInChI=1S/C16H10N2S2/c1-2-4-12-9-13(6-5-11(12)3-1)19-14-7-8-15-16(10-14)18-20-17-15/h1-10H
InChIKeyKWHVDJQMFNBGFV-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.00
Rot. Bonds2

About 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole

5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole (PubChem CID 166444836) has the molecular formula C16H10N2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole
PubChem CID166444836
Molecular FormulaC16H10N2S2
Molecular Weight294.40 g/mol
Exact Mass294.03
IUPAC Name5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole
SMILESc1ccc2cc(Sc3ccc4nsnc4c3)ccc2c1
InChIInChI=1S/C16H10N2S2/c1-2-4-12-9-13(6-5-11(12)3-1)19-14-7-8-15-16(10-14)18-20-17-15/h1-10H
InChIKeyKWHVDJQMFNBGFV-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole?
The IUPAC name of 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole (CID 166444836) is 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole?
The canonical SMILES for 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole is c1ccc2cc(Sc3ccc4nsnc4c3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole?
The InChIKey is KWHVDJQMFNBGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S2/c1-2-4-12-9-13(6-5-11(12)3-1)19-14-7-8-15-16(10-14)18-20-17-15/h1-10H.
What are the key properties of 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole?
5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole has a molecular weight of 294.40 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylsulfanyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 166444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).