N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

C11H19N3OS — CID 65334095

IUPACN-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CCCOC2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)8-5-4-6-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyGMRHJSJBQPTTTF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.64
Rot. Bonds2

About N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65334095) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65334095
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1nc(C2CCCOC2)ns1
InChIInChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)8-5-4-6-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyGMRHJSJBQPTTTF-UHFFFAOYSA-N
XLogP2.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65334095) is N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1nc(C2CCCOC2)ns1.
What is the InChIKey of N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GMRHJSJBQPTTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2,3)13-10-12-9(14-16-10)8-5-4-6-15-7-8/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.64, 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-(oxan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65334095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).