[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone

C16H11ClF3NOS — CID 122329376

IUPAC[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NOS/c17-11-4-2-1-3-9(11)16-21(7-8-23-16)15(22)10-5-6-12(18)14(20)13(10)19/h1-6,16H,7-8H2
InChIKeyZOFCLKIIXJDKMD-UHFFFAOYSA-N
MW357.78 g/mol
LogP4.65
Rot. Bonds2

About [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone

[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 122329376) has the molecular formula C16H11ClF3NOS and a molecular weight of 357.78 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID122329376
Molecular FormulaC16H11ClF3NOS
Molecular Weight357.78 g/mol
Exact Mass357.02
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCSC1c1ccccc1Cl
InChIInChI=1S/C16H11ClF3NOS/c17-11-4-2-1-3-9(11)16-21(7-8-23-16)15(22)10-5-6-12(18)14(20)13(10)19/h1-6,16H,7-8H2
InChIKeyZOFCLKIIXJDKMD-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.78
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone (CID 122329376) is [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)N1CCSC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is ZOFCLKIIXJDKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NOS/c17-11-4-2-1-3-9(11)16-21(7-8-23-16)15(22)10-5-6-12(18)14(20)13(10)19/h1-6,16H,7-8H2.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone?
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 357.78 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 122329376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).