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

C15H14N4OS — CID 43299550

IUPAC4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(CSc2ccncc2N)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-11(10)15-18-14(20-19-15)9-21-13-6-7-17-8-12(13)16/h2-8H,9,16H2,1H3
InChIKeyMIZNVZREUYIPMO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.31
Rot. Bonds4

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

4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine (PubChem CID 43299550) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
PubChem CID43299550
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
SMILESCc1ccccc1-c1noc(CSc2ccncc2N)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-11(10)15-18-14(20-19-15)9-21-13-6-7-17-8-12(13)16/h2-8H,9,16H2,1H3
InChIKeyMIZNVZREUYIPMO-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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Related Compounds

4-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 43299740
3-(2-methylphenyl)-5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 90854396
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butan-2-amine
CID 66229386
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 66094839
4-amino-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 135417555
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
5-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 7814862
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 114876703
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butanoic acid
CID 105352752
5-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 8723550
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
CID 43299591

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine (CID 43299550) is 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine is Cc1ccccc1-c1noc(CSc2ccncc2N)n1.
What is the InChIKey of 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
The InChIKey is MIZNVZREUYIPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-4-2-3-5-11(10)15-18-14(20-19-15)9-21-13-6-7-17-8-12(13)16/h2-8H,9,16H2,1H3.
What are the key properties of 4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine?
4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]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)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).