2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole

C14H12N2S2 — CID 935041

IUPAC2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cccc3ccccc23)s1
InChIInChI=1S/C14H12N2S2/c1-10-15-16-14(18-10)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3
InChIKeyUFNRDBSIFINTKU-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.29
Rot. Bonds3

About 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole

2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole (PubChem CID 935041) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
PubChem CID935041
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
SMILESCc1nnc(SCc2cccc3ccccc23)s1
InChIInChI=1S/C14H12N2S2/c1-10-15-16-14(18-10)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3
InChIKeyUFNRDBSIFINTKU-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole (CID 935041) is 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole is Cc1nnc(SCc2cccc3ccccc23)s1.
What is the InChIKey of 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is UFNRDBSIFINTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-10-15-16-14(18-10)17-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3.
What are the key properties of 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole?
2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 272.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 935041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).