4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C24H27FN4O4S — CID 3645254

IUPAC4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1Oc1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C24H27FN4O4S/c1-31-21-16-18(23(30)26-9-2-10-29-11-13-32-14-12-29)5-8-20(21)33-24-27-22(28-34-24)15-17-3-6-19(25)7-4-17/h3-8,16H,2,9-15H2,1H3,(H,26,30)
InChIKeyLROQDMDXOOSCDS-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.52
Rot. Bonds10

About 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 3645254) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID3645254
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1Oc1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C24H27FN4O4S/c1-31-21-16-18(23(30)26-9-2-10-29-11-13-32-14-12-29)5-8-20(21)33-24-27-22(28-34-24)15-17-3-6-19(25)7-4-17/h3-8,16H,2,9-15H2,1H3,(H,26,30)
InChIKeyLROQDMDXOOSCDS-UHFFFAOYSA-N
XLogP3.52
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42775270
4-methoxy-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3924257
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-pentylbenzamide
CID 3260125
3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3358189
N-butan-2-yl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzamide
CID 5205439
1-[4-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxybenzoyl]piperazin-1-yl]ethanone
CID 3970627
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 42776709
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5028109
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42775916
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93003100
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 3649113

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 3645254) is 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(C(=O)NCCCN2CCOCC2)ccc1Oc1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is LROQDMDXOOSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-31-21-16-18(23(30)26-9-2-10-29-11-13-32-14-12-29)5-8-20(21)33-24-27-22(28-34-24)15-17-3-6-19(25)7-4-17/h3-8,16H,2,9-15H2,1H3,(H,26,30).
What are the key properties of 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 486.57 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 3645254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).