2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

C15H12F3NOS2 — CID 3875123

IUPAC2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3NOS2/c1-8-4-5-21-14(8)15-19(11(20)7-22-15)6-9-2-3-10(16)13(18)12(9)17/h2-5,15H,6-7H2,1H3
InChIKeyXJTREHZKSAHDBG-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.25
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3875123) has the molecular formula C15H12F3NOS2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3875123
Molecular FormulaC15H12F3NOS2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Name2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1Cc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3NOS2/c1-8-4-5-21-14(8)15-19(11(20)7-22-15)6-9-2-3-10(16)13(18)12(9)17/h2-5,15H,6-7H2,1H3
InChIKeyXJTREHZKSAHDBG-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
CID 42814605
2-(3-chloro-4-fluorophenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 5164631
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
3-[(2,3-difluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3854696
N-ethyl-2-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42815205
2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 42795848
2-(1,3-benzodioxol-4-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3763893
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3875125
3-[(2-fluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3741447
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(4-ethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3802418

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3875123) is 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccsc1C1SCC(=O)N1Cc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is XJTREHZKSAHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS2/c1-8-4-5-21-14(8)15-19(11(20)7-22-15)6-9-2-3-10(16)13(18)12(9)17/h2-5,15H,6-7H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 343.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3875123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).