(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C16H13F3N2OS — CID 122329188

IUPAC(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCSC1c1ccccc1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)13-7-6-12(10-20-13)14(22)21-8-9-23-15(21)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2
InChIKeyXSBYEADLJRWKMC-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.99
Rot. Bonds2

About (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 122329188) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID122329188
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCSC1c1ccccc1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)13-7-6-12(10-20-13)14(22)21-8-9-23-15(21)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2
InChIKeyXSBYEADLJRWKMC-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 122329188) is (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCSC1c1ccccc1.
What is the InChIKey of (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is XSBYEADLJRWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-16(18,19)13-7-6-12(10-20-13)14(22)21-8-9-23-15(21)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2.
What are the key properties of (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
(2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 338.35 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazolidin-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 122329188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).