2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C13H8Cl2N4OS — CID 177374749

IUPAC2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(CSc2nnc(-c3cnccn3)o2)c1
InChIInChI=1S/C13H8Cl2N4OS/c14-9-1-2-10(15)8(5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeyPVSDGVTVXNLNHV-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.13
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 177374749) has the molecular formula C13H8Cl2N4OS and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID177374749
Molecular FormulaC13H8Cl2N4OS
Molecular Weight339.21 g/mol
Exact Mass337.98
IUPAC Name2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(CSc2nnc(-c3cnccn3)o2)c1
InChIInChI=1S/C13H8Cl2N4OS/c14-9-1-2-10(15)8(5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeyPVSDGVTVXNLNHV-UHFFFAOYSA-N
XLogP4.13
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyrazin-2-yl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 121290444
2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate
CID 3359596
N-(4-chloro-2-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162255
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906389
[5-[(3-chloro-4-pyridinyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629974
N-[(4-chlorophenyl)methyl]-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162270
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 9067334
2-[(2-chlorophenyl)methylsulfanyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2288974
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
4-chloro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921858

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 177374749) is 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Clc1ccc(Cl)c(CSc2nnc(-c3cnccn3)o2)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is PVSDGVTVXNLNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4OS/c14-9-1-2-10(15)8(5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 339.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 177374749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).