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

C13H10N6OS — CID 110385796

IUPACN-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1
InChIInChI=1S/C13H10N6OS/c14-7-9-1-3-10(4-2-9)16-11(20)5-6-12-18-19-8-15-17-13(19)21-12/h1-4,8H,5-6H2,(H,16,20)
InChIKeyLBDFUXLBZGXRFJ-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.63
Rot. Bonds4

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

N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385796) has the molecular formula C13H10N6OS and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385796
Molecular FormulaC13H10N6OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC NameN-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESN#Cc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1
InChIInChI=1S/C13H10N6OS/c14-7-9-1-3-10(4-2-9)16-11(20)5-6-12-18-19-8-15-17-13(19)21-12/h1-4,8H,5-6H2,(H,16,20)
InChIKeyLBDFUXLBZGXRFJ-UHFFFAOYSA-N
XLogP1.63
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
N-(4-cyanophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333736
N-(3-cyanophenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386130
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385567
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385692
N-(4-cyanophenyl)-4-(4-oxo-1-pyridinyl)butanamide
CID 62879658
N-(4-cyanophenyl)-4-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 62951042

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385796) is N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is N#Cc1ccc(NC(=O)CCc2nn3cnnc3s2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is LBDFUXLBZGXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS/c14-7-9-1-3-10(4-2-9)16-11(20)5-6-12-18-19-8-15-17-13(19)21-12/h1-4,8H,5-6H2,(H,16,20).
What are the key properties of N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 298.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).