2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

C16H10ClF4NOS — CID 5164631

IUPAC2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Cl)c2)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10ClF4NOS/c17-10-5-8(1-3-11(10)18)16-22(13(23)7-24-16)6-9-2-4-12(19)15(21)14(9)20/h1-5,16H,6-7H2
InChIKeyNITBZYIVMUGNOA-UHFFFAOYSA-N
MW375.77 g/mol
LogP4.67
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 5164631) has the molecular formula C16H10ClF4NOS and a molecular weight of 375.77 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID5164631
Molecular FormulaC16H10ClF4NOS
Molecular Weight375.77 g/mol
Exact Mass375.01
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)c(Cl)c2)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10ClF4NOS/c17-10-5-8(1-3-11(10)18)16-22(13(23)7-24-16)6-9-2-4-12(19)15(21)14(9)20/h1-5,16H,6-7H2
InChIKeyNITBZYIVMUGNOA-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 54.67
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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Related Compounds

2-(4-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3593371
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3875123
3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(1,3-benzodioxol-4-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3763893
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
2-(3-chloro-4-fluorophenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
CID 3741915
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 5164631) is 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)c(Cl)c2)N1Cc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is NITBZYIVMUGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NOS/c17-10-5-8(1-3-11(10)18)16-22(13(23)7-24-16)6-9-2-4-12(19)15(21)14(9)20/h1-5,16H,6-7H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 375.77 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5164631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).