2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole

C8H10F3NOS — CID 166088370

IUPAC2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESCC(C)c1ncc(OCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(2)7-12-3-6(14-7)13-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyPUTPDOKBIDQNJG-UHFFFAOYSA-N
MW225.23 g/mol
LogP3.21
Rot. Bonds3

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

2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole (PubChem CID 166088370) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
PubChem CID166088370
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
SMILESCC(C)c1ncc(OCC(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5(2)7-12-3-6(14-7)13-4-8(9,10)11/h3,5H,4H2,1-2H3
InChIKeyPUTPDOKBIDQNJG-UHFFFAOYSA-N
XLogP3.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2,2-Trifluoroethoxy)-1,3-thiazole
CID 156409572
5-Ethoxy-2,3-dimethyl-1,3-thiazol-3-ium iodide
CID 24190102
5-Ethoxy-2-methyl-1,3-thiazole
CID 15363738
5-Ethoxy-2-(trifluoromethyl)-1,3-thiazole
CID 118164811
2-Methyl-5-(trifluoromethoxy)-1,3-thiazole
CID 118466145
2-Propan-2-yl-5-(trifluoromethoxy)-1,3-thiazole
CID 144946123
5-(2,2-Difluoroethoxy)-2-propan-2-yl-1,3-thiazole
CID 166087640
2-(Bromomethyl)-5-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 166087800
[5-(2,2-Difluoroethoxy)-1,3-thiazol-2-yl]methanol
CID 166088383
2-(Bromomethyl)-5-(2,2-difluoroethoxy)-1,3-thiazole
CID 166088582
CID 166089724
CID 166089724
5-(2,2-Difluoroethoxy)-2-(methoxymethyl)-1,3-thiazole
CID 169595042

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole (CID 166088370) is 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole is CC(C)c1ncc(OCC(F)(F)F)s1.
What is the InChIKey of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
The InChIKey is PUTPDOKBIDQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5(2)7-12-3-6(14-7)13-4-8(9,10)11/h3,5H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole?
2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole has a molecular weight of 225.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole is sourced from PubChem (CID 166088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).