2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one

C15H10ClFN2O3S — CID 503756

IUPAC2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClFN2O3S/c16-11-5-2-6-12(17)14(11)15-18(13(20)8-23-15)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKeyGWOONTROZFGMOY-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.17
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 503756) has the molecular formula C15H10ClFN2O3S and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID503756
Molecular FormulaC15H10ClFN2O3S
Molecular Weight352.77 g/mol
Exact Mass352.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClFN2O3S/c16-11-5-2-6-12(17)14(11)15-18(13(20)8-23-15)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2
InChIKeyGWOONTROZFGMOY-UHFFFAOYSA-N
XLogP4.17
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 503756) is 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is GWOONTROZFGMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3S/c16-11-5-2-6-12(17)14(11)15-18(13(20)8-23-15)9-3-1-4-10(7-9)19(21)22/h1-7,15H,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 352.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 503756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).