N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C11H20N4OS — CID 106298272

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-8(2)9-13-10(17-15-9)14-11(7-12)3-5-16-6-4-11/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyWRHJEACPYVHODR-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.58
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 106298272) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID106298272
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-8(2)9-13-10(17-15-9)14-11(7-12)3-5-16-6-4-11/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyWRHJEACPYVHODR-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-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-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 106298272) is N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2(CN)CCOCC2)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is WRHJEACPYVHODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(2)9-13-10(17-15-9)14-11(7-12)3-5-16-6-4-11/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106298272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).