4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide

C24H28N4O3S — CID 5027903

IUPAC4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Oc2nc(Cc3ccccc3)ns2)c(CN2CCOCC2)c1
InChIInChI=1S/C24H28N4O3S/c1-17(2)25-23(29)19-8-9-21(20(15-19)16-28-10-12-30-13-11-28)31-24-26-22(27-32-24)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)
InChIKeyIMAOAPQQIUTFES-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.89
Rot. Bonds8

About 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide

4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 5027903) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID5027903
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Oc2nc(Cc3ccccc3)ns2)c(CN2CCOCC2)c1
InChIInChI=1S/C24H28N4O3S/c1-17(2)25-23(29)19-8-9-21(20(15-19)16-28-10-12-30-13-11-28)31-24-26-22(27-32-24)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29)
InChIKeyIMAOAPQQIUTFES-UHFFFAOYSA-N
XLogP3.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-benzhydryl-3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxybenzamide
CID 3610987
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-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 5228129
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3645254
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5028109
[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxyphenyl]-piperidin-1-ylmethanone
CID 3610981
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93003100
[4-methoxy-3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-morpholin-4-ylmethanone
CID 4541289
3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-4-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 7218605
(4-benzylpiperazin-1-yl)-[4-methoxy-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]methanone
CID 3922737
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 42776709

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 5027903) is 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Oc2nc(Cc3ccccc3)ns2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is IMAOAPQQIUTFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17(2)25-23(29)19-8-9-21(20(15-19)16-28-10-12-30-13-11-28)31-24-26-22(27-32-24)14-18-6-4-3-5-7-18/h3-9,15,17H,10-14,16H2,1-2H3,(H,25,29).
What are the key properties of 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide?
4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-(morpholin-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 5027903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).