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

C17H19N5O3S — CID 110385928

IUPAC3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c(OC)c1
InChIInChI=1S/C17H19N5O3S/c1-24-11-5-6-12(13(9-11)25-2)18-14(23)7-8-15-21-22-16(10-3-4-10)19-20-17(22)26-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,23)
InChIKeyFTKAABSNVBBBLF-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.65
Rot. Bonds7

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

3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 110385928) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID110385928
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c(OC)c1
InChIInChI=1S/C17H19N5O3S/c1-24-11-5-6-12(13(9-11)25-2)18-14(23)7-8-15-21-22-16(10-3-4-10)19-20-17(22)26-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,23)
InChIKeyFTKAABSNVBBBLF-UHFFFAOYSA-N
XLogP2.65
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23945420
2-[(3-tert-butyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 43981281
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide (CID 110385928) is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c(OC)c1.
What is the InChIKey of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is FTKAABSNVBBBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-24-11-5-6-12(13(9-11)25-2)18-14(23)7-8-15-21-22-16(10-3-4-10)19-20-17(22)26-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,23).
What are the key properties of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide?
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 373.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 110385928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).