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

C9H12F3NOS — CID 103477039

IUPAC5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCC(C)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-6(2)7-3-13-8(15-7)4-14-5-9(10,11)12/h3,6H,4-5H2,1-2H3
InChIKeyARLQSMRZXITVSY-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.35
Rot. Bonds4

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

5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (PubChem CID 103477039) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
PubChem CID103477039
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC Name5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
SMILESCC(C)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NOS/c1-6(2)7-3-13-8(15-7)4-14-5-9(10,11)12/h3,6H,4-5H2,1-2H3
InChIKeyARLQSMRZXITVSY-UHFFFAOYSA-N
XLogP3.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The IUPAC name of 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole (CID 103477039) is 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is CC(C)c1cnc(COCC(F)(F)F)s1.
What is the InChIKey of 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
The InChIKey is ARLQSMRZXITVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c1-6(2)7-3-13-8(15-7)4-14-5-9(10,11)12/h3,6H,4-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole?
5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole has a molecular weight of 239.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).