pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol

C11H9F3N2OS — CID 167449128

IUPACpyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESOC(c1ccncc1)c1csc(CC(F)(F)F)n1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)5-9-16-8(6-18-9)10(17)7-1-3-15-4-2-7/h1-4,6,10,17H,5H2
InChIKeyCUWLBNTXEXKTOO-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.72
Rot. Bonds3

About pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol

pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 167449128) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Namepyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol
PubChem CID167449128
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Namepyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol
SMILESOC(c1ccncc1)c1csc(CC(F)(F)F)n1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)5-9-16-8(6-18-9)10(17)7-1-3-15-4-2-7/h1-4,6,10,17H,5H2
InChIKeyCUWLBNTXEXKTOO-UHFFFAOYSA-N
XLogP2.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol (CID 167449128) is pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol is OC(c1ccncc1)c1csc(CC(F)(F)F)n1.
What is the InChIKey of pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is CUWLBNTXEXKTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)5-9-16-8(6-18-9)10(17)7-1-3-15-4-2-7/h1-4,6,10,17H,5H2.
What are the key properties of pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol?
pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 274.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 167449128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).