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

C13H13N5OS — CID 110385697

IUPACN-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2nn3cnnc3s2)c1
InChIInChI=1S/C13H13N5OS/c1-9-3-2-4-10(7-9)15-11(19)5-6-12-17-18-8-14-16-13(18)20-12/h2-4,7-8H,5-6H2,1H3,(H,15,19)
InChIKeyJUSVXSPJPSFHFC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.07
Rot. Bonds4

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

N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385697) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385697
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1cccc(NC(=O)CCc2nn3cnnc3s2)c1
InChIInChI=1S/C13H13N5OS/c1-9-3-2-4-10(7-9)15-11(19)5-6-12-17-18-8-14-16-13(18)20-12/h2-4,7-8H,5-6H2,1H3,(H,15,19)
InChIKeyJUSVXSPJPSFHFC-UHFFFAOYSA-N
XLogP2.07
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385704
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385800
N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385796
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
2-(3-methylphenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 3531685
N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]propanamide
CID 953377
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110425993
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
N-(3-methylphenyl)-3-(2,3,4-trihydroxyphenyl)propanamide
CID 59819841
3-(2,6-dimethoxyphenyl)-N-(3-methylphenyl)propanamide
CID 100789387
N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385697) is N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is Cc1cccc(NC(=O)CCc2nn3cnnc3s2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is JUSVXSPJPSFHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-9-3-2-4-10(7-9)15-11(19)5-6-12-17-18-8-14-16-13(18)20-12/h2-4,7-8H,5-6H2,1H3,(H,15,19).
What are the key properties of N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(3-methylphenyl)-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 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).