2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol

C8H11F3N2OS — CID 64990927

IUPAC2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C8H11F3N2OS/c1-7(5-14,6-12-2-3-15-6)13-4-8(9,10)11/h2-3,13-14H,4-5H2,1H3
InChIKeyCDWRRPSTCVEPLR-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol

2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 64990927) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID64990927
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C8H11F3N2OS/c1-7(5-14,6-12-2-3-15-6)13-4-8(9,10)11/h2-3,13-14H,4-5H2,1H3
InChIKeyCDWRRPSTCVEPLR-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-Amino-1-(1,3-thiazol-2-YL)propan-2-OL
CID 445279
2-(1,3-Thiazol-2-ylmethylamino)ethanol
CID 28063241
3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986832
(2R,4R)-4-amino-3,3-difluoro-4-(1,3-thiazol-2-yl)butan-2-ol
CID 178983211
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)propylamino]propan-2-ol
CID 64480579
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480833
1-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 64481599
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481834
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64482001
1,1,1-Trifluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 64482622
3,3,3-trifluoro-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64553550
2-(1,3-Thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 64990462

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 64990927) is 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol is CC(CO)(NCC(F)(F)F)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is CDWRRPSTCVEPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-7(5-14,6-12-2-3-15-6)13-4-8(9,10)11/h2-3,13-14H,4-5H2,1H3.
What are the key properties of 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 240.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 64990927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).