4-(1,2,4-thiadiazol-3-ylmethyl)morpholine

C7H11N3OS — CID 57303153

IUPAC4-(1,2,4-thiadiazol-3-ylmethyl)morpholine
SMILESc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H11N3OS/c1-3-11-4-2-10(1)5-7-8-6-12-9-7/h6H,1-5H2
InChIKeyGLLWMKZPWQUXSZ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.37
Rot. Bonds2

About 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine

4-(1,2,4-thiadiazol-3-ylmethyl)morpholine (PubChem CID 57303153) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-3-ylmethyl)morpholine
PubChem CID57303153
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-(1,2,4-thiadiazol-3-ylmethyl)morpholine
SMILESc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C7H11N3OS/c1-3-11-4-2-10(1)5-7-8-6-12-9-7/h6H,1-5H2
InChIKeyGLLWMKZPWQUXSZ-UHFFFAOYSA-N
XLogP0.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine 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 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine?
The IUPAC name of 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine (CID 57303153) is 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine?
The canonical SMILES for 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine is c1nc(CN2CCOCC2)ns1.
What is the InChIKey of 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine?
The InChIKey is GLLWMKZPWQUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-11-4-2-10(1)5-7-8-6-12-9-7/h6H,1-5H2.
What are the key properties of 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine?
4-(1,2,4-thiadiazol-3-ylmethyl)morpholine has a molecular weight of 185.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-3-ylmethyl)morpholine is sourced from PubChem (CID 57303153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).