1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine

C13H13F3N2S — CID 115091866

IUPAC1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-8(17)6-9-7-18-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7-8H,6,17H2,1H3
InChIKeyVIHVEJWSSMJLKF-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.72
Rot. Bonds3

About 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115091866) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115091866
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C13H13F3N2S/c1-8(17)6-9-7-18-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7-8H,6,17H2,1H3
InChIKeyVIHVEJWSSMJLKF-UHFFFAOYSA-N
XLogP3.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091833
3-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoic acid
CID 115091900
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
5-ethynyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 169493431
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
1-[2-(2-bromophenyl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091875
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
CID 115087279
[5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091197
1-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653902

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine (CID 115091866) is 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is VIHVEJWSSMJLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8(17)6-9-7-18-12(19-9)10-4-2-3-5-11(10)13(14,15)16/h2-5,7-8H,6,17H2,1H3.
What are the key properties of 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine?
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 286.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115091866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).