3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine

C19H16N4OS — CID 83272136

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESc1ccc(-c2nnc(-c3cccnc3NCCc3cccs3)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-2-6-14(7-3-1)18-22-23-19(24-18)16-9-4-11-20-17(16)21-12-10-15-8-5-13-25-15/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeySHPFTVPOABKURO-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.51
Rot. Bonds6

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 83272136) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID83272136
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESc1ccc(-c2nnc(-c3cccnc3NCCc3cccs3)o2)cc1
InChIInChI=1S/C19H16N4OS/c1-2-6-14(7-3-1)18-22-23-19(24-18)16-9-4-11-20-17(16)21-12-10-15-8-5-13-25-15/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeySHPFTVPOABKURO-UHFFFAOYSA-N
XLogP4.51
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3-[5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205420
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 3966922
N-(5-(5-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1,3,4-thiadiazol-2-yl)pyridin-2-yl)-2,2-difluoroacetamide
CID 162722758
4-[2-amino-8-(5-ethyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 169552681
N-(pyridin-4-ylmethyl)-3-(5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 53318517
2-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 127027848
4-[2-amino-8-(5-ethyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 169552680
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-(3-thienyl)pyrazin-2-amine
CID 67433176
US11248001, Example 203
CID 154604226
5-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 57397698
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 71654573

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine (CID 83272136) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine is c1ccc(-c2nnc(-c3cccnc3NCCc3cccs3)o2)cc1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is SHPFTVPOABKURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-6-14(7-3-1)18-22-23-19(24-18)16-9-4-11-20-17(16)21-12-10-15-8-5-13-25-15/h1-9,11,13H,10,12H2,(H,20,21).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 83272136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).