2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide

C19H15F3N2O2S — CID 99873767

IUPAC2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)18(26,14-9-5-2-6-10-14)12-23-16(25)15-11-27-17(24-15)13-7-3-1-4-8-13/h1-11,26H,12H2,(H,23,25)/t18-/m1/s1
InChIKeyLPMDMLXLWCNEAI-GOSISDBHSA-N
MW392.40 g/mol
LogP3.99
Rot. Bonds5

About 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide

2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 99873767) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID99873767
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)18(26,14-9-5-2-6-10-14)12-23-16(25)15-11-27-17(24-15)13-7-3-1-4-8-13/h1-11,26H,12H2,(H,23,25)/t18-/m1/s1
InChIKeyLPMDMLXLWCNEAI-GOSISDBHSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide (CID 99873767) is 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LPMDMLXLWCNEAI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)18(26,14-9-5-2-6-10-14)12-23-16(25)15-11-27-17(24-15)13-7-3-1-4-8-13/h1-11,26H,12H2,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99873767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).