3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C10H17N3OS — CID 115077211

IUPAC3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(C2CCSCC2)n1
InChIInChI=1S/C10H17N3OS/c11-5-1-2-9-12-10(14-13-9)8-3-6-15-7-4-8/h8H,1-7,11H2
InChIKeyRFNXTZAGBLMBDL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds4

About 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 115077211) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID115077211
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(C2CCSCC2)n1
InChIInChI=1S/C10H17N3OS/c11-5-1-2-9-12-10(14-13-9)8-3-6-15-7-4-8/h8H,1-7,11H2
InChIKeyRFNXTZAGBLMBDL-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104880039
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115035817
3-propyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130693534
3-[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081587
3-[5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66478395
3-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79763177
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-prop-2-enyl-5-(thiolan-3-yl)-1,2,4-oxadiazole
CID 130660248
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
CID 61495568
[3-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-cyclopropylmethanone
CID 99727776
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662

Frequently Asked Questions

What is the IUPAC name of 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 115077211) is 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is NCCCc1noc(C2CCSCC2)n1.
What is the InChIKey of 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is RFNXTZAGBLMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-5-1-2-9-12-10(14-13-9)8-3-6-15-7-4-8/h8H,1-7,11H2.
What are the key properties of 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(thian-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 115077211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).