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

C15H14N4OS — CID 66094430

IUPAC5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccccc1SCc1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-12(10)21-9-14-18-15(20-19-14)11-6-7-13(16)17-8-11/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyCUYCXJWLCNBXCR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.31
Rot. Bonds4

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

5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 66094430) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID66094430
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccccc1SCc1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C15H14N4OS/c1-10-4-2-3-5-12(10)21-9-14-18-15(20-19-14)11-6-7-13(16)17-8-11/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyCUYCXJWLCNBXCR-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

5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66140184
5-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65133456
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 66094839
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259856
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79954394
5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259812
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
5-(1-chloroethyl)-3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66095451
1-amino-1-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 66094224
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79146919
N,N-dimethyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 20566334

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 66094430) is 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cc1ccccc1SCc1noc(-c2ccc(N)nc2)n1.
What is the InChIKey of 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is CUYCXJWLCNBXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-4-2-3-5-12(10)21-9-14-18-15(20-19-14)11-6-7-13(16)17-8-11/h2-8H,9H2,1H3,(H2,16,17).
What are the key properties of 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[(2-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 5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 66094430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).