3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 65268265

IUPAC3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)10-5-8-3-2-4-13-6-8/h8H,2-6H2,1H3,(H,10,11,12)
InChIKeyAGDPKWSLOCMEAQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268265) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268265
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)10-5-8-3-2-4-13-6-8/h8H,2-6H2,1H3,(H,10,11,12)
InChIKeyAGDPKWSLOCMEAQ-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(oxan-3-ylmethyl)-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 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268265) is 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCCOC2)n1.
What is the InChIKey of 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AGDPKWSLOCMEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-9(14-12-7)10-5-8-3-2-4-13-6-8/h8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).