1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H19N3OS — CID 80637282

IUPAC1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(C2CCCCS2)no1)C1CC1
InChIInChI=1S/C12H19N3OS/c13-9(8-4-5-8)7-11-14-12(15-16-11)10-3-1-2-6-17-10/h8-10H,1-7,13H2
InChIKeyFZNOSDJYCAIHMZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.31
Rot. Bonds4

About 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 80637282) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID80637282
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNC(Cc1nc(C2CCCCS2)no1)C1CC1
InChIInChI=1S/C12H19N3OS/c13-9(8-4-5-8)7-11-14-12(15-16-11)10-3-1-2-6-17-10/h8-10H,1-7,13H2
InChIKeyFZNOSDJYCAIHMZ-UHFFFAOYSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103344442
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80619997
1-cyclopropyl-2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65401397
3-methyl-N-propyl-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636580
N-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80637572
N,3,3-trimethyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636575
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093
2-[2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273796

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 80637282) is 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is NC(Cc1nc(C2CCCCS2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is FZNOSDJYCAIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9(8-4-5-8)7-11-14-12(15-16-11)10-3-1-2-6-17-10/h8-10H,1-7,13H2.
What are the key properties of 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 253.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 80637282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).