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

C13H15FN2S — CID 55056781

IUPAC1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)c(C(C)N)s2)c(F)c1
InChIInChI=1S/C13H15FN2S/c1-7-4-5-10(11(14)6-7)13-16-9(3)12(17-13)8(2)15/h4-6,8H,15H2,1-3H3
InChIKeyHQMDEDFLMOAMKB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.59
Rot. Bonds2

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

1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 55056781) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID55056781
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc(C)c(C(C)N)s2)c(F)c1
InChIInChI=1S/C13H15FN2S/c1-7-4-5-10(11(14)6-7)13-16-9(3)12(17-13)8(2)15/h4-6,8H,15H2,1-3H3
InChIKeyHQMDEDFLMOAMKB-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 55056781) is 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1ccc(-c2nc(C)c(C(C)N)s2)c(F)c1.
What is the InChIKey of 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is HQMDEDFLMOAMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-7-4-5-10(11(14)6-7)13-16-9(3)12(17-13)8(2)15/h4-6,8H,15H2,1-3H3.
What are the key properties of 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55056781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).