N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C20H23FN2S — CID 59223268

IUPACN-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cc(C)ccc2F)c1
InChIInChI=1S/C20H23FN2S/c1-13-4-5-18(21)17(11-13)19(23-20-22-6-7-24-20)12-16-9-14(2)8-15(3)10-16/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyAXCFIBSXOMYPJF-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.73
Rot. Bonds4

About N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223268) has the molecular formula C20H23FN2S and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223268
Molecular FormulaC20H23FN2S
Molecular Weight342.48 g/mol
Exact Mass342.16
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cc(C)ccc2F)c1
InChIInChI=1S/C20H23FN2S/c1-13-4-5-18(21)17(11-13)19(23-20-22-6-7-24-20)12-16-9-14(2)8-15(3)10-16/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyAXCFIBSXOMYPJF-UHFFFAOYSA-N
XLogP4.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223268) is N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cc(C)ccc2F)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AXCFIBSXOMYPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2S/c1-13-4-5-18(21)17(11-13)19(23-20-22-6-7-24-20)12-16-9-14(2)8-15(3)10-16/h4-5,8-11,19H,6-7,12H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 342.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).