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

C13H15N3O2S — CID 1088923

IUPAC4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESc1ccc(COc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-4-11(5-3-1)10-18-13-12(14-19-15-13)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyANCGOXWBXXNPNP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.95
Rot. Bonds4

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

4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 1088923) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID1088923
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESc1ccc(COc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-4-11(5-3-1)10-18-13-12(14-19-15-13)16-6-8-17-9-7-16/h1-5H,6-10H2
InChIKeyANCGOXWBXXNPNP-UHFFFAOYSA-N
XLogP1.95
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-phenylmethoxy-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

Related Compounds

4-(4-p-Tolyloxy-[1,2,5]thiadiazol-3-yl)-morpholine
CID 641399
(4-Morpholin-4-yl-1,2,5-thiadiazol-3-yl) benzoate
CID 674516
4-(4-Phenoxy-1,2,5-thiadiazol-3-yl)morpholine
CID 641396
2-Fluorobenzyl 4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl ether
CID 16643986
3-(Azepan-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949442
3-(Azepan-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949465
3-(Azepan-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949468
3-[(4-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949474
3-[(2-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949497
3-[(3-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949500
3-[(4-Fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949506
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-piperidin-1-yl-1,2,5-thiadiazole
CID 43949520

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine (CID 1088923) is 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine is c1ccc(COc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is ANCGOXWBXXNPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-4-11(5-3-1)10-18-13-12(14-19-15-13)16-6-8-17-9-7-16/h1-5H,6-10H2.
What are the key properties of 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine?
4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 277.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxy-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 1088923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).