4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

C14H17N3O2S — CID 16643985

IUPAC4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1cccc(COc2nsnc2N2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c1-11-3-2-4-12(9-11)10-19-14-13(15-20-16-14)17-5-7-18-8-6-17/h2-4,9H,5-8,10H2,1H3
InChIKeyPZKCERRUQSPUGR-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.26
Rot. Bonds4

About 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 16643985) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID16643985
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESCc1cccc(COc2nsnc2N2CCOCC2)c1
InChIInChI=1S/C14H17N3O2S/c1-11-3-2-4-12(9-11)10-19-14-13(15-20-16-14)17-5-7-18-8-6-17/h2-4,9H,5-8,10H2,1H3
InChIKeyPZKCERRUQSPUGR-UHFFFAOYSA-N
XLogP2.26
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-methylphenyl)methoxy]-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-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (CID 16643985) is 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is Cc1cccc(COc2nsnc2N2CCOCC2)c1.
What is the InChIKey of 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is PZKCERRUQSPUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-3-2-4-12(9-11)10-19-14-13(15-20-16-14)17-5-7-18-8-6-17/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 291.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylphenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 16643985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).