(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

C15H13F3N2O2S — CID 136547894

IUPAC(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14-19-11(8-23-14)13(22)20-7-10(21)6-12(20)9-4-2-1-3-5-9/h1-5,8,10,12,21H,6-7H2
InChIKeyJYJDOTPQSXSODR-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.11
Rot. Bonds2

About (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 136547894) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID136547894
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(C(F)(F)F)n1)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)14-19-11(8-23-14)13(22)20-7-10(21)6-12(20)9-4-2-1-3-5-9/h1-5,8,10,12,21H,6-7H2
InChIKeyJYJDOTPQSXSODR-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 136547894) is (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(C(F)(F)F)n1)N1CC(O)CC1c1ccccc1.
What is the InChIKey of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is JYJDOTPQSXSODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)14-19-11(8-23-14)13(22)20-7-10(21)6-12(20)9-4-2-1-3-5-9/h1-5,8,10,12,21H,6-7H2.
What are the key properties of (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
(4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-phenylpyrrolidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136547894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).