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

C19H17F3N2OS — CID 46942457

IUPAC1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
SMILESCN(C)c1ccc(-c2csc(C(O)(c3ccccc3)C(F)(F)F)n2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24(2)15-10-8-13(9-11-15)16-12-26-17(23-16)18(25,19(20,21)22)14-6-4-3-5-7-14/h3-12,25H,1-2H3
InChIKeyPCHWBISJKLGLRP-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.67
Rot. Bonds4

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

1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol (PubChem CID 46942457) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
PubChem CID46942457
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol
SMILESCN(C)c1ccc(-c2csc(C(O)(c3ccccc3)C(F)(F)F)n2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-24(2)15-10-8-13(9-11-15)16-12-26-17(23-16)18(25,19(20,21)22)14-6-4-3-5-7-14/h3-12,25H,1-2H3
InChIKeyPCHWBISJKLGLRP-UHFFFAOYSA-N
XLogP4.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol (CID 46942457) is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol is CN(C)c1ccc(-c2csc(C(O)(c3ccccc3)C(F)(F)F)n2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is PCHWBISJKLGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c1-24(2)15-10-8-13(9-11-15)16-12-26-17(23-16)18(25,19(20,21)22)14-6-4-3-5-7-14/h3-12,25H,1-2H3.
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol?
1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 378.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoro-1-phenylethanol is sourced from PubChem (CID 46942457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).