1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol

C17H11ClF3NOS — CID 46942451

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
SMILESOC(c1ccccc1)(c1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F
InChIInChI=1S/C17H11ClF3NOS/c18-13-8-6-11(7-9-13)14-10-24-15(22-14)16(23,17(19,20)21)12-4-2-1-3-5-12/h1-10,23H
InChIKeyXRSSWDIQHUNZKS-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.26
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol (PubChem CID 46942451) has the molecular formula C17H11ClF3NOS and a molecular weight of 369.80 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
PubChem CID46942451
Molecular FormulaC17H11ClF3NOS
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
SMILESOC(c1ccccc1)(c1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F
InChIInChI=1S/C17H11ClF3NOS/c18-13-8-6-11(7-9-13)14-10-24-15(22-14)16(23,17(19,20)21)12-4-2-1-3-5-12/h1-10,23H
InChIKeyXRSSWDIQHUNZKS-UHFFFAOYSA-N
XLogP5.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol (CID 46942451) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol is OC(c1ccccc1)(c1nc(-c2ccc(Cl)cc2)cs1)C(F)(F)F.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is XRSSWDIQHUNZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NOS/c18-13-8-6-11(7-9-13)14-10-24-15(22-14)16(23,17(19,20)21)12-4-2-1-3-5-12/h1-10,23H.
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 369.80 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol is sourced from PubChem (CID 46942451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).