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

C17H19N5OS — CID 110385893

IUPAC3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1C
InChIInChI=1S/C17H19N5OS/c1-10-4-3-5-13(11(10)2)18-14(23)8-9-15-21-22-16(12-6-7-12)19-20-17(22)24-15/h3-5,12H,6-9H2,1-2H3,(H,18,23)
InChIKeySBFKQFYKCBIZSO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.25
Rot. Bonds5

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

3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 110385893) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID110385893
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1C
InChIInChI=1S/C17H19N5OS/c1-10-4-3-5-13(11(10)2)18-14(23)8-9-15-21-22-16(12-6-7-12)19-20-17(22)24-15/h3-5,12H,6-9H2,1-2H3,(H,18,23)
InChIKeySBFKQFYKCBIZSO-UHFFFAOYSA-N
XLogP3.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoylamino]benzoate
CID 110385962
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 110385928
N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385964
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110385926
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 110385943
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 110385833
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110401282
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
CID 110401241
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 40585673
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2,2-dimethylpropanamide
CID 110401207

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-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide (CID 110385893) is 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1C.
What is the InChIKey of 3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is SBFKQFYKCBIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-4-3-5-13(11(10)2)18-14(23)8-9-15-21-22-16(12-6-7-12)19-20-17(22)24-15/h3-5,12H,6-9H2,1-2H3,(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-(2,3-dimethylphenyl)propanamide?
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 110385893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).