(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

C5H9N3OS — CID 9170638

IUPAC(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCSc1nnc(CN)o1
InChIInChI=1S/C5H9N3OS/c1-2-10-5-8-7-4(3-6)9-5/h2-3,6H2,1H3
InChIKeySJLUMKLDEDPDSA-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.64
Rot. Bonds3

About (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine

(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 9170638) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID9170638
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCCSc1nnc(CN)o1
InChIInChI=1S/C5H9N3OS/c1-2-10-5-8-7-4(3-6)9-5/h2-3,6H2,1H3
InChIKeySJLUMKLDEDPDSA-UHFFFAOYSA-N
XLogP0.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-((S)-1-Amino-ethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 16745845
((5-(Ethylthio)-1,3,4-oxadiazol-2-yl)methyl)amine hydrochloride
CID 16876437
2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 1401237
[5-(3-Fluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629846
[5-(4,4,4-Trifluorobutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629978
[5-(3,3,3-Trifluoropropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102629982
[5-[2-(Trifluoromethylsulfanyl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630215
[5-(2,2,2-Trifluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630348
[5-(2-Fluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630365
[5-[2-(2,2,2-Trifluoroethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630386
[5-[2-(Trifluoromethoxy)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630580
[5-(2,2-Difluoroethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630696

Frequently Asked Questions

What is the IUPAC name of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine (CID 9170638) is (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is CCSc1nnc(CN)o1.
What is the InChIKey of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is SJLUMKLDEDPDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-2-10-5-8-7-4(3-6)9-5/h2-3,6H2,1H3.
What are the key properties of (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine?
(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 159.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 9170638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).