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

C17H19FN4OS — CID 167754083

IUPAC1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2sc(-c3ccc(F)c(C)c3)nc2C)n1
InChIInChI=1S/C17H19FN4OS/c1-9-7-12(5-6-13(9)18)17-20-11(3)15(24-17)16-21-14(22-23-16)8-10(2)19-4/h5-7,10,19H,8H2,1-4H3
InChIKeyAGRHXFHCFYOUDC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.77
Rot. Bonds5

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

1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 167754083) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID167754083
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2sc(-c3ccc(F)c(C)c3)nc2C)n1
InChIInChI=1S/C17H19FN4OS/c1-9-7-12(5-6-13(9)18)17-20-11(3)15(24-17)16-21-14(22-23-16)8-10(2)19-4/h5-7,10,19H,8H2,1-4H3
InChIKeyAGRHXFHCFYOUDC-UHFFFAOYSA-N
XLogP3.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867444
1-[5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867019
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(5-fluoro-3-methyl-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120865361
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[5-[5-(4-fluorophenyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866174
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
2,5,6-trimethyl-4-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 120866145
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
3-(4-fluoro-3-methylphenyl)-5-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole
CID 99639331

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 167754083) is 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2sc(-c3ccc(F)c(C)c3)nc2C)n1.
What is the InChIKey of 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is AGRHXFHCFYOUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c1-9-7-12(5-6-13(9)18)17-20-11(3)15(24-17)16-21-14(22-23-16)8-10(2)19-4/h5-7,10,19H,8H2,1-4H3.
What are the key properties of 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 346.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 167754083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).