2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C16H10ClF4NOS — CID 4300147

IUPAC2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF4NOS/c17-11-5-2-6-12(18)14(11)15-22(13(23)8-24-15)10-4-1-3-9(7-10)16(19,20)21/h1-7,15H,8H2
InChIKeyTYXXWOBKOVAUQU-UHFFFAOYSA-N
MW375.77 g/mol
LogP5.28
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4300147) has the molecular formula C16H10ClF4NOS and a molecular weight of 375.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID4300147
Molecular FormulaC16H10ClF4NOS
Molecular Weight375.77 g/mol
Exact Mass375.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)cccc2Cl)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF4NOS/c17-11-5-2-6-12(18)14(11)15-22(13(23)8-24-15)10-4-1-3-9(7-10)16(19,20)21/h1-7,15H,8H2
InChIKeyTYXXWOBKOVAUQU-UHFFFAOYSA-N
XLogP5.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.77
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2,3-Bis(2-fluorophenyl)-1,3-thiazolidin-4-one
CID 5043541
2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 4232767
2-(4-Chlorophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2732167
4-Thiazolidinone, 2-(2,6-dichlorophenyl)-3-phenyl-
CID 486674
2-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 3567687
2-(2-Chloro-6-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 4247898
2-(2-Chloro-6-fluorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4247900
N-[4-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 4351781
3-{[(2-Chlorophenyl)methyl]sulfanyl}-1-[4-(4-fluorophenyl)piperazin-1-YL]propan-1-one
CID 4988121

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 4300147) is 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)cccc2Cl)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is TYXXWOBKOVAUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NOS/c17-11-5-2-6-12(18)14(11)15-22(13(23)8-24-15)10-4-1-3-9(7-10)16(19,20)21/h1-7,15H,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 375.77 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4300147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).