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

C13H11FN4OS — CID 79391660

IUPAC4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1F
InChIInChI=1S/C13H11FN4OS/c1-6-3-4-8(5-9(6)14)12-16-13(19-17-12)10-7(2)18-20-11(10)15/h3-5H,15H2,1-2H3
InChIKeyQRAKHWVTGCHKMX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.20
Rot. Bonds2

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

4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 79391660) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID79391660
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1F
InChIInChI=1S/C13H11FN4OS/c1-6-3-4-8(5-9(6)14)12-16-13(19-17-12)10-7(2)18-20-11(10)15/h3-5H,15H2,1-2H3
InChIKeyQRAKHWVTGCHKMX-UHFFFAOYSA-N
XLogP3.20
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 79391660) is 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is Cc1ccc(-c2noc(-c3c(C)nsc3N)n2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is QRAKHWVTGCHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-6-3-4-8(5-9(6)14)12-16-13(19-17-12)10-7(2)18-20-11(10)15/h3-5H,15H2,1-2H3.
What are the key properties of 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 290.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79391660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).