4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

C10H15N3O2S2 — CID 83200505

IUPAC4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H15N3O2S2/c11-7-4-17-3-6(7)10-12-9(13-15-10)8-5-16-2-1-14-8/h6-8H,1-5,11H2
InChIKeySVLOZTBANUOMBT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.03
Rot. Bonds2

About 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine

4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 83200505) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID83200505
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CSCCO2)no1
InChIInChI=1S/C10H15N3O2S2/c11-7-4-17-3-6(7)10-12-9(13-15-10)8-5-16-2-1-14-8/h6-8H,1-5,11H2
InChIKeySVLOZTBANUOMBT-UHFFFAOYSA-N
XLogP1.03
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 79968590
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200899
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79963704
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 79968592
4-[3-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 106602068
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
2,2-dimethyl-3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 79966683

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 83200505) is 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is NC1CSCC1c1nc(C2CSCCO2)no1.
What is the InChIKey of 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is SVLOZTBANUOMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c11-7-4-17-3-6(7)10-12-9(13-15-10)8-5-16-2-1-14-8/h6-8H,1-5,11H2.
What are the key properties of 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 273.38 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 83200505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).