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

C13H13N5OS — CID 110385699

IUPACN-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCN(C(=O)CCc1nn2cnnc2s1)c1ccccc1
InChIInChI=1S/C13H13N5OS/c1-17(10-5-3-2-4-6-10)12(19)8-7-11-16-18-9-14-15-13(18)20-11/h2-6,9H,7-8H2,1H3
InChIKeyJUIJQUMNCYGIRY-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.78
Rot. Bonds4

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

N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385699) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385699
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCN(C(=O)CCc1nn2cnnc2s1)c1ccccc1
InChIInChI=1S/C13H13N5OS/c1-17(10-5-3-2-4-6-10)12(19)8-7-11-16-18-9-14-15-13(18)20-11/h2-6,9H,7-8H2,1H3
InChIKeyJUIJQUMNCYGIRY-UHFFFAOYSA-N
XLogP1.78
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110672955
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-methyl-N-phenyl-2-(tetrazol-1-yl)acetamide
CID 110856918
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385800
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-N-phenylnonanamide
CID 54136731
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-phenylpropanamide
CID 36676315
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385699) is N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CN(C(=O)CCc1nn2cnnc2s1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is JUIJQUMNCYGIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-17(10-5-3-2-4-6-10)12(19)8-7-11-16-18-9-14-15-13(18)20-11/h2-6,9H,7-8H2,1H3.
What are the key properties of N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 287.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).