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

C7H11N3OS — CID 115016917

IUPAC3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(C2CCSCC2)no1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyBRLWJEPJLUGRDK-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.26
Rot. Bonds1

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

3-(thian-4-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 115016917) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
PubChem CID115016917
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
SMILESNc1nc(C2CCSCC2)no1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyBRLWJEPJLUGRDK-UHFFFAOYSA-N
XLogP1.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 115079652
3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-amine
CID 79962782
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
CID 115079643
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)hydrazine
CID 62596343
1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115080972
N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 119104794
1-(2-chlorophenyl)-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 122160549
5-(thian-4-yl)-1,3-oxazol-2-amine
CID 115016732
3-(thiolan-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021927
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734

Frequently Asked Questions

What is the IUPAC name of 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine (CID 115016917) is 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine is Nc1nc(C2CCSCC2)no1.
What is the InChIKey of 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BRLWJEPJLUGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H2,8,9,10).
What are the key properties of 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine?
3-(thian-4-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 185.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-4-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115016917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).