4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

C13H12N4O2S — CID 79391661

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-7-10(11(14)20-17-7)13-15-12(16-19-13)8-3-5-9(18-2)6-4-8/h3-6H,14H2,1-2H3
InChIKeyAHLCWSTTZQWDKK-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.76
Rot. Bonds3

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 79391661) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID79391661
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-7-10(11(14)20-17-7)13-15-12(16-19-13)8-3-5-9(18-2)6-4-8/h3-6H,14H2,1-2H3
InChIKeyAHLCWSTTZQWDKK-UHFFFAOYSA-N
XLogP2.76
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 79391661) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is COc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is AHLCWSTTZQWDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-10(11(14)20-17-7)13-15-12(16-19-13)8-3-5-9(18-2)6-4-8/h3-6H,14H2,1-2H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 288.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79391661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).