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

C13H11FN4O2S — CID 107922500

IUPAC4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOc1cc(-c2noc(-c3c(C)nsc3N)n2)ccc1F
InChIInChI=1S/C13H11FN4O2S/c1-6-10(11(15)21-18-6)13-16-12(17-20-13)7-3-4-8(14)9(5-7)19-2/h3-5H,15H2,1-2H3
InChIKeyIXOFRYLFTMCEGY-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.90
Rot. Bonds3

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

4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 107922500) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID107922500
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC Name4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCOc1cc(-c2noc(-c3c(C)nsc3N)n2)ccc1F
InChIInChI=1S/C13H11FN4O2S/c1-6-10(11(15)21-18-6)13-16-12(17-20-13)7-3-4-8(14)9(5-7)19-2/h3-5H,15H2,1-2H3
InChIKeyIXOFRYLFTMCEGY-UHFFFAOYSA-N
XLogP2.90
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 107922500) is 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is COc1cc(-c2noc(-c3c(C)nsc3N)n2)ccc1F.
What is the InChIKey of 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is IXOFRYLFTMCEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c1-6-10(11(15)21-18-6)13-16-12(17-20-13)7-3-4-8(14)9(5-7)19-2/h3-5H,15H2,1-2H3.
What are the key properties of 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 306.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 107922500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).