5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

C14H12N4OS — CID 57397698

IUPAC5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nnc(SCc3ccccc3)o2)cn1
InChIInChI=1S/C14H12N4OS/c15-12-7-6-11(8-16-12)13-17-18-14(19-13)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16)
InChIKeyRZDRLEIXVQKDGL-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.01
Rot. Bonds4

About 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 57397698) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID57397698
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2nnc(SCc3ccccc3)o2)cn1
InChIInChI=1S/C14H12N4OS/c15-12-7-6-11(8-16-12)13-17-18-14(19-13)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16)
InChIKeyRZDRLEIXVQKDGL-UHFFFAOYSA-N
XLogP3.01
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 758305
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333
3-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3135481
N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
CID 71578658
N-[4-[5-[(3-cyanophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-pyridinyl]acetamide
CID 71578744

Frequently Asked Questions

What is the IUPAC name of 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 57397698) is 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is Nc1ccc(-c2nnc(SCc3ccccc3)o2)cn1.
What is the InChIKey of 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is RZDRLEIXVQKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-12-7-6-11(8-16-12)13-17-18-14(19-13)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16).
What are the key properties of 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 57397698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).