N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine

C10H17N3OS — CID 80636872

IUPACN-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-9-11-8(13-14-9)7-5-4-6-15-7/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBQYXOSZBVILBLF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.85
Rot. Bonds2

About N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine

N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 80636872) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID80636872
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-10(2,3)12-9-11-8(13-14-9)7-5-4-6-15-7/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyBQYXOSZBVILBLF-UHFFFAOYSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-(thiolan-2-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

2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 80620897
N,3,3-trimethyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636575
5-(1-chloroethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620869
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
N-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620076
N-[2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 80620623
3,3-dimethyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 80620918
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
N-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80637572
(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
4-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80621178
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine (CID 80636872) is N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine is CC(C)(C)Nc1nc(C2CCCS2)no1.
What is the InChIKey of N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is BQYXOSZBVILBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2,3)12-9-11-8(13-14-9)7-5-4-6-15-7/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 80636872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).