1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C8H10F3NO2S — CID 103217063

IUPAC1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5-6,13H,1,3-4H2
InChIKeyZMDYLJZZSIWTNN-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.63
Rot. Bonds5

About 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103217063) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103217063
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESOC(COCC(F)(F)F)Cc1cncs1
InChIInChI=1S/C8H10F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5-6,13H,1,3-4H2
InChIKeyZMDYLJZZSIWTNN-UHFFFAOYSA-N
XLogP1.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103217063) is 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is OC(COCC(F)(F)F)Cc1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is ZMDYLJZZSIWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c9-8(10,11)4-14-3-6(13)1-7-2-12-5-15-7/h2,5-6,13H,1,3-4H2.
What are the key properties of 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 241.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).