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

C13H11FN4OS — CID 81274489

IUPAC4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C13H11FN4OS/c1-7-4-8(14)2-3-10(7)12-17-11(19-18-12)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyVXLVSOACJICRIL-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

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

4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 81274489) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID81274489
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1-c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C13H11FN4OS/c1-7-4-8(14)2-3-10(7)12-17-11(19-18-12)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,15,16)
InChIKeyVXLVSOACJICRIL-UHFFFAOYSA-N
XLogP2.81
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 81274489) is 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Cc1cc(F)ccc1-c1noc(Cc2csc(N)n2)n1.
What is the InChIKey of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VXLVSOACJICRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-7-4-8(14)2-3-10(7)12-17-11(19-18-12)5-9-6-20-13(15)16-9/h2-4,6H,5H2,1H3,(H2,15,16).
What are the key properties of 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 290.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 81274489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).