4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C15H14N4OS — CID 66064570

IUPAC4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccc(SCc2noc(-c3ccnc(N)c3)n2)cc1
InChIInChI=1S/C15H14N4OS/c1-10-2-4-12(5-3-10)21-9-14-18-15(20-19-14)11-6-7-17-13(16)8-11/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyGHBICLRBWXWKKG-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.31
Rot. Bonds4

About 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 66064570) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID66064570
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccc(SCc2noc(-c3ccnc(N)c3)n2)cc1
InChIInChI=1S/C15H14N4OS/c1-10-2-4-12(5-3-10)21-9-14-18-15(20-19-14)11-6-7-17-13(16)8-11/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyGHBICLRBWXWKKG-UHFFFAOYSA-N
XLogP3.31
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 66064570) is 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cc1ccc(SCc2noc(-c3ccnc(N)c3)n2)cc1.
What is the InChIKey of 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is GHBICLRBWXWKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-2-4-12(5-3-10)21-9-14-18-15(20-19-14)11-6-7-17-13(16)8-11/h2-8H,9H2,1H3,(H2,16,17).
What are the key properties of 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 298.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 66064570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).