N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C19H17N5O2S — CID 110385766

IUPACN-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H17N5O2S/c25-17(10-11-18-23-24-13-20-22-19(24)27-18)21-15-6-8-16(9-7-15)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,25)
InChIKeyUIGKMCQSDMQMRD-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.34
Rot. Bonds7

About N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385766) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385766
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H17N5O2S/c25-17(10-11-18-23-24-13-20-22-19(24)27-18)21-15-6-8-16(9-7-15)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,25)
InChIKeyUIGKMCQSDMQMRD-UHFFFAOYSA-N
XLogP3.34
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385796
N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385704
N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385697
6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91678977
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 2343294
N-(4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799847
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7820643
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385766) is N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is UIGKMCQSDMQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-17(10-11-18-23-24-13-20-22-19(24)27-18)21-15-6-8-16(9-7-15)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,21,25).
What are the key properties of N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 379.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).