(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine

C8H11F3N2OS — CID 135377698

IUPAC(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)sc1[C@@H](C)N
InChIInChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3/t4-/m1/s1
InChIKeyXQQWRCBXPWYAEC-SCSAIBSYSA-N
MW240.25 g/mol
LogP2.41
Rot. Bonds3

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

(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (PubChem CID 135377698) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
PubChem CID135377698
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(OCC(F)(F)F)sc1[C@@H](C)N
InChIInChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3/t4-/m1/s1
InChIKeyXQQWRCBXPWYAEC-SCSAIBSYSA-N
XLogP2.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378208
[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]methanol
CID 135377884
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
CID 64707912
5-(1-aminoethyl)-4-methyl-1,3-thiazol-2-amine
CID 61295642
(1R)-1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethanamine
CID 135377639
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377453
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596
(1R)-1-[3-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethanamine
CID 67289741
5-(1-aminoethyl)-N-ethyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62752198
(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
CID 103431732

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (CID 135377698) is (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is Cc1nc(OCC(F)(F)F)sc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XQQWRCBXPWYAEC-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-4(12)6-5(2)13-7(15-6)14-3-8(9,10)11/h4H,3,12H2,1-2H3/t4-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 135377698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).