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

C18H14N4OS — CID 83272137

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(-c2nnc(-c3cccnc3NCc3cccs3)o2)cc1
InChIInChI=1S/C18H14N4OS/c1-2-6-13(7-3-1)17-21-22-18(23-17)15-9-4-10-19-16(15)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,19,20)
InChIKeyUKXJKHJIILTXNZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.47
Rot. Bonds5

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

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 83272137) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID83272137
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(-c2nnc(-c3cccnc3NCc3cccs3)o2)cc1
InChIInChI=1S/C18H14N4OS/c1-2-6-13(7-3-1)17-21-22-18(23-17)15-9-4-10-19-16(15)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,19,20)
InChIKeyUKXJKHJIILTXNZ-UHFFFAOYSA-N
XLogP4.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 83272137) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine is c1ccc(-c2nnc(-c3cccnc3NCc3cccs3)o2)cc1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is UKXJKHJIILTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-2-6-13(7-3-1)17-21-22-18(23-17)15-9-4-10-19-16(15)20-12-14-8-5-11-24-14/h1-11H,12H2,(H,19,20).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 4.47, 5 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-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 83272137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).