2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole

C13H10N4S2 — CID 2746820

IUPAC2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(-c3cnccn3)s2)cc1
InChIInChI=1S/C13H10N4S2/c1-2-4-10(5-3-1)9-18-13-17-16-12(19-13)11-8-14-6-7-15-11/h1-8H,9H2
InChIKeyKHJKJOHJWSZGAB-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.29
Rot. Bonds4

About 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole

2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole (PubChem CID 2746820) has the molecular formula C13H10N4S2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole
PubChem CID2746820
Molecular FormulaC13H10N4S2
Molecular Weight286.39 g/mol
Exact Mass286.03
IUPAC Name2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole
SMILESc1ccc(CSc2nnc(-c3cnccn3)s2)cc1
InChIInChI=1S/C13H10N4S2/c1-2-4-10(5-3-1)9-18-13-17-16-12(19-13)11-8-14-6-7-15-11/h1-8H,9H2
InChIKeyKHJKJOHJWSZGAB-UHFFFAOYSA-N
XLogP3.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dichloro-3,5-dinitrophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole
CID 170925293
2-benzylsulfanyl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 562782
2-[[4-(3-chlorophenyl)phenyl]methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 175031575
2-benzylsulfanyl-5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazole
CID 134122259
2-[(2-chlorophenyl)methylsulfanyl]-5-phenyl-1,3,4-thiadiazole
CID 19205052
2-benzylsulfanyl-5-(chloromethyl)-1,3-thiazole
CID 11021483
N-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2113200
2-benzylsulfanyl-5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazole
CID 30863381
N-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 46937369
2-benzylsulfanyl-[1,3]thiazolo[4,5-b]pyridine
CID 53306902
1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 3371606
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33166888

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole (CID 2746820) is 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole is c1ccc(CSc2nnc(-c3cnccn3)s2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole?
The InChIKey is KHJKJOHJWSZGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4S2/c1-2-4-10(5-3-1)9-18-13-17-16-12(19-13)11-8-14-6-7-15-11/h1-8H,9H2.
What are the key properties of 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole?
2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole has a molecular weight of 286.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-pyrazin-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 2746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).