N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

C21H18N4OS2 — CID 51110576

IUPACN-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccccn12)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H18N4OS2/c1-15(27-21-24-23-19-13-7-8-14-25(19)21)20(26)22-17-11-5-6-12-18(17)28-16-9-3-2-4-10-16/h2-15H,1H3,(H,22,26)
InChIKeyPHOAIWNQVIRAIW-UHFFFAOYSA-N
MW406.54 g/mol
LogP5.00
Rot. Bonds6

About N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (PubChem CID 51110576) has the molecular formula C21H18N4OS2 and a molecular weight of 406.54 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
PubChem CID51110576
Molecular FormulaC21H18N4OS2
Molecular Weight406.54 g/mol
Exact Mass406.09
IUPAC NameN-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
SMILESCC(Sc1nnc2ccccn12)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H18N4OS2/c1-15(27-21-24-23-19-13-7-8-14-25(19)21)20(26)22-17-11-5-6-12-18(17)28-16-9-3-2-4-10-16/h2-15H,1H3,(H,22,26)
InChIKeyPHOAIWNQVIRAIW-UHFFFAOYSA-N
XLogP5.00
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-naphthalen-1-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558347
N-(3-chloro-2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629612
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
CID 24501065
(2R)-N-[4-(dimethylamino)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2622659
(2S)-N-cyclopropyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373317
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
CID 24559313
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 42897188
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
(2R)-N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2474766
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)propanamide
CID 24519226
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373491

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide (CID 51110576) is N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is CC(Sc1nnc2ccccn12)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
The InChIKey is PHOAIWNQVIRAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS2/c1-15(27-21-24-23-19-13-7-8-14-25(19)21)20(26)22-17-11-5-6-12-18(17)28-16-9-3-2-4-10-16/h2-15H,1H3,(H,22,26).
What are the key properties of N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide?
N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide has a molecular weight of 406.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide is sourced from PubChem (CID 51110576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).