4-methyl-5-naphthalen-2-ylsulfinylthiadiazole

C13H10N2OS2 — CID 1473868

IUPAC4-methyl-5-naphthalen-2-ylsulfinylthiadiazole
SMILESCc1nnsc1S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10N2OS2/c1-9-13(17-15-14-9)18(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyNIVUUDKSNPTACX-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.17
Rot. Bonds2

About 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole

4-methyl-5-naphthalen-2-ylsulfinylthiadiazole (PubChem CID 1473868) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole.

Molecular Properties

Compound Name4-methyl-5-naphthalen-2-ylsulfinylthiadiazole
PubChem CID1473868
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name4-methyl-5-naphthalen-2-ylsulfinylthiadiazole
SMILESCc1nnsc1S(=O)c1ccc2ccccc2c1
InChIInChI=1S/C13H10N2OS2/c1-9-13(17-15-14-9)18(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyNIVUUDKSNPTACX-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole?
The IUPAC name of 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole (CID 1473868) is 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole.
What is the SMILES notation for 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole?
The canonical SMILES for 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole is Cc1nnsc1S(=O)c1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole?
The InChIKey is NIVUUDKSNPTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-9-13(17-15-14-9)18(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3.
What are the key properties of 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole?
4-methyl-5-naphthalen-2-ylsulfinylthiadiazole has a molecular weight of 274.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-naphthalen-2-ylsulfinylthiadiazole is sourced from PubChem (CID 1473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).