1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol

C8H11F3N2OS — CID 115712104

IUPAC1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cncs1
InChIInChI=1S/C8H11F3N2OS/c1-5(6-2-12-4-15-6)13-3-7(14)8(9,10)11/h2,4-5,7,13-14H,3H2,1H3
InChIKeyFUJCRCKXWXTFTM-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.72
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 115712104) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
PubChem CID115712104
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cncs1
InChIInChI=1S/C8H11F3N2OS/c1-5(6-2-12-4-15-6)13-3-7(14)8(9,10)11/h2,4-5,7,13-14H,3H2,1H3
InChIKeyFUJCRCKXWXTFTM-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 58629032
[5-[2-Amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-1,3-thiazol-2-yl]methanol
CID 134319104
[5-[1-(4,4-Difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol
CID 134404920
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377679
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377680
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377683
(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377924
2-(2,2-Difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
CID 169181655
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62652275
N-[1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653562

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (CID 115712104) is 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)(F)F)c1cncs1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is FUJCRCKXWXTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(6-2-12-4-15-6)13-3-7(14)8(9,10)11/h2,4-5,7,13-14H,3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 240.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115712104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).