6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine

C17H18N4O2S — CID 99833877

IUPAC6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(C)c(OCc2nnc(SCc3cccc(N)n3)o2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-6-7-12(2)14(8-11)22-9-16-20-21-17(23-16)24-10-13-4-3-5-15(18)19-13/h3-8H,9-10H2,1-2H3,(H2,18,19)
InChIKeyANVGTAQALPWBSD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.53
Rot. Bonds6

About 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine

6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine (PubChem CID 99833877) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine
PubChem CID99833877
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(C)c(OCc2nnc(SCc3cccc(N)n3)o2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-6-7-12(2)14(8-11)22-9-16-20-21-17(23-16)24-10-13-4-3-5-15(18)19-13/h3-8H,9-10H2,1-2H3,(H2,18,19)
InChIKeyANVGTAQALPWBSD-UHFFFAOYSA-N
XLogP3.53
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine with MolForge

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Related Compounds

4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-pyrimidin-6-one
CID 154772580
2-[(2,5-dimethylphenoxy)methyl]-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 112786908
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 35973237
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 39403307
2-[(2,5-dimethylphenoxy)methyl]-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 78766417
2-[(2,5-dimethylphenoxy)methyl]-5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 39907963
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 112786948
5-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 46658713
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone
CID 39606908
methyl 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate
CID 31120473
methyl 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 51141909
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112786963

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine (CID 99833877) is 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine is Cc1ccc(C)c(OCc2nnc(SCc3cccc(N)n3)o2)c1.
What is the InChIKey of 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine?
The InChIKey is ANVGTAQALPWBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-6-7-12(2)14(8-11)22-9-16-20-21-17(23-16)24-10-13-4-3-5-15(18)19-13/h3-8H,9-10H2,1-2H3,(H2,18,19).
What are the key properties of 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine?
6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine has a molecular weight of 342.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 99833877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).