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

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Related Compounds

2-Methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 935041
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
CID 3555790
2-Amino-5-(9-anthryl)-1,3,4-thiadiazole
CID 17603805
2-(5-Naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45265742
2-Methylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 13586968
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-Phenyl-5-m-tolyl-1,3,4-thiadiazole
CID 139674346
2-(1-Fluoroheptyl)-5-(7-octyl-9,10-dihydrophenanthren-2-yl)-1,3,4-thiadiazole
CID 19760657
2-(Difluoromethylsulfanyl)-5-(2-methylphenyl)-1,3,4-thiadiazole
CID 20186074
2-Tert-butyl-5-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 89667265
2-Tert-butyl-5-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 89667281

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).