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

C11H9N5OS2 — CID 106678486

IUPAC3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H9N5OS2/c12-9-11(14-3-2-13-9)19-6-8-15-10(17-16-8)7-1-4-18-5-7/h1-5H,6H2,(H2,12,13)
InChIKeyCRCNDSBBBKAPJH-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.46
Rot. Bonds4

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

3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106678486) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106678486
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC Name3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1noc(-c2ccsc2)n1
InChIInChI=1S/C11H9N5OS2/c12-9-11(14-3-2-13-9)19-6-8-15-10(17-16-8)7-1-4-18-5-7/h1-5H,6H2,(H2,12,13)
InChIKeyCRCNDSBBBKAPJH-UHFFFAOYSA-N
XLogP2.46
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-fluoro-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79141214
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
3-[(4-methyl-5-thiophen-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 67070761
6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 61305044
2-tert-butyl-5-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
CID 75379789
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 38859277
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128

Frequently Asked Questions

What is the IUPAC name of 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine (CID 106678486) is 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1noc(-c2ccsc2)n1.
What is the InChIKey of 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is CRCNDSBBBKAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c12-9-11(14-3-2-13-9)19-6-8-15-10(17-16-8)7-1-4-18-5-7/h1-5H,6H2,(H2,12,13).
What are the key properties of 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine?
3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 291.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).