1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine

C13H13F3N2S — CID 61280520

IUPAC1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N
InChIInChI=1S/C13H13F3N2S/c1-7(17)11-8(2)18-12(19-11)9-3-5-10(6-4-9)13(14,15)16/h3-7H,17H2,1-2H3
InChIKeyRYNPGVWPENFWMF-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.16
Rot. Bonds2

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

1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 61280520) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID61280520
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N
InChIInChI=1S/C13H13F3N2S/c1-7(17)11-8(2)18-12(19-11)9-3-5-10(6-4-9)13(14,15)16/h3-7H,17H2,1-2H3
InChIKeyRYNPGVWPENFWMF-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine (CID 61280520) is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RYNPGVWPENFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-7(17)11-8(2)18-12(19-11)9-3-5-10(6-4-9)13(14,15)16/h3-7H,17H2,1-2H3.
What are the key properties of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61280520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).