2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

C23H26N4O3S — CID 5228129

IUPAC2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)NCCN1CCOCC1
InChIInChI=1S/C23H26N4O3S/c28-22(24-10-11-27-12-14-29-15-13-27)17-19-6-8-20(9-7-19)30-23-25-21(26-31-23)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,28)
InChIKeyNLZVMRFVGNOTPG-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.91
Rot. Bonds9

About 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 5228129) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID5228129
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)NCCN1CCOCC1
InChIInChI=1S/C23H26N4O3S/c28-22(24-10-11-27-12-14-29-15-13-27)17-19-6-8-20(9-7-19)30-23-25-21(26-31-23)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,28)
InChIKeyNLZVMRFVGNOTPG-UHFFFAOYSA-N
XLogP2.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5028109
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 5024625
3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3358189
3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 42775270
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide
CID 4028093
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
CID 3509663
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
CID 42775870
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 42776860
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 5027903
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
4-methoxy-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3924257
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-methylpropyl)acetamide
CID 4016816

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 5228129) is 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cc1ccc(Oc2nc(Cc3ccccc3)ns2)cc1)NCCN1CCOCC1.
What is the InChIKey of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NLZVMRFVGNOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-22(24-10-11-27-12-14-29-15-13-27)17-19-6-8-20(9-7-19)30-23-25-21(26-31-23)16-18-4-2-1-3-5-18/h1-9H,10-17H2,(H,24,28).
What are the key properties of 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 438.55 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 5228129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).