2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole

C13H10N2S2 — CID 18707479

IUPAC2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C13H10N2S2/c1-16-13-15-14-12(17-13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyYIRDBVRFKCSNFT-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.08
Rot. Bonds2

About 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole

2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole (PubChem CID 18707479) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole
PubChem CID18707479
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C13H10N2S2/c1-16-13-15-14-12(17-13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyYIRDBVRFKCSNFT-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole (CID 18707479) is 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole is CSc1nnc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole?
The InChIKey is YIRDBVRFKCSNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-16-13-15-14-12(17-13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole?
2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole has a molecular weight of 258.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-naphthalen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 18707479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).