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

C8H11F3N2S — CID 106782987

IUPAC2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-4(2)6(12)5-3-13-7(14-5)8(9,10)11/h3-4,6H,12H2,1-2H3
InChIKeySKUCUMVOBUJKHZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.82
Rot. Bonds2

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

2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106782987) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106782987
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)C(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-4(2)6(12)5-3-13-7(14-5)8(9,10)11/h3-4,6H,12H2,1-2H3
InChIKeySKUCUMVOBUJKHZ-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
2-(2-Cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303018
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 118303039
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017
N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106782987) is 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CC(C)C(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is SKUCUMVOBUJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-4(2)6(12)5-3-13-7(14-5)8(9,10)11/h3-4,6H,12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 224.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106782987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).