4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine

C6H11N3OS — CID 19075549

IUPAC4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine
SMILESC1=C(N2CCOCC2)NSN1
InChIInChI=1S/C6H11N3OS/c1-3-10-4-2-9(1)6-5-7-11-8-6/h5,7-8H,1-4H2
InChIKeyPGHSRZFHLQXFSR-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.13
Rot. Bonds1

About 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine

4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 19075549) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID19075549
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine
SMILESC1=C(N2CCOCC2)NSN1
InChIInChI=1S/C6H11N3OS/c1-3-10-4-2-9(1)6-5-7-11-8-6/h5,7-8H,1-4H2
InChIKeyPGHSRZFHLQXFSR-UHFFFAOYSA-N
XLogP-0.13
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)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-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine (CID 19075549) is 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine is C1=C(N2CCOCC2)NSN1.
What is the InChIKey of 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is PGHSRZFHLQXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-3-10-4-2-9(1)6-5-7-11-8-6/h5,7-8H,1-4H2.
What are the key properties of 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine?
4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 173.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 19075549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).