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

C15H14N4OS — CID 66094839

IUPAC4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1SCc1noc(-c2ccncc2N)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-13(10)21-9-14-18-15(20-19-14)11-6-7-17-8-12(11)16/h2-8H,9,16H2,1H3
InChIKeyNGNPVGSIEAINGW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.31
Rot. Bonds4

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

4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 66094839) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID66094839
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCc1ccccc1SCc1noc(-c2ccncc2N)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-13(10)21-9-14-18-15(20-19-14)11-6-7-17-8-12(11)16/h2-8H,9,16H2,1H3
InChIKeyNGNPVGSIEAINGW-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-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 66094839) is 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cc1ccccc1SCc1noc(-c2ccncc2N)n1.
What is the InChIKey of 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is NGNPVGSIEAINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-4-2-3-5-13(10)21-9-14-18-15(20-19-14)11-6-7-17-8-12(11)16/h2-8H,9,16H2,1H3.
What are the key properties of 4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-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-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 66094839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).