3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine

C13H11N5OS — CID 106678763

IUPAC3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H11N5OS/c14-11-13(16-7-6-15-11)20-8-10-17-12(18-19-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySQOVCXRRNPSOLB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.40
Rot. Bonds4

About 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine

3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678763) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678763
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1nc(-c2ccccc2)no1
InChIInChI=1S/C13H11N5OS/c14-11-13(16-7-6-15-11)20-8-10-17-12(18-19-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySQOVCXRRNPSOLB-UHFFFAOYSA-N
XLogP2.40
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678785
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine
CID 106678927
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
5-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 27210901
3-methyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43303046
4-methyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79126709
3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 7889538
3-(4-chlorophenyl)-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 8512032
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252
3-phenyl-5-[(5-pyridin-3-yl-4H-pyrazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 145064953
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridine-3-carboxylate
CID 8003334
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 75380493

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine (CID 106678763) is 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is SQOVCXRRNPSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-11-13(16-7-6-15-11)20-8-10-17-12(18-19-10)9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine?
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 285.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).