1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide

C14H17F3N2O3S — CID 42641366

IUPAC1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESCC(C)N1C(C(=O)NCc2ccc(F)c(F)c2F)CCS1(=O)=O
InChIInChI=1S/C14H17F3N2O3S/c1-8(2)19-11(5-6-23(19,21)22)14(20)18-7-9-3-4-10(15)13(17)12(9)16/h3-4,8,11H,5-7H2,1-2H3,(H,18,20)
InChIKeyKULSQNJVKJMJRE-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.53
Rot. Bonds4

About 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide

1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide (PubChem CID 42641366) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide
PubChem CID42641366
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide
SMILESCC(C)N1C(C(=O)NCc2ccc(F)c(F)c2F)CCS1(=O)=O
InChIInChI=1S/C14H17F3N2O3S/c1-8(2)19-11(5-6-23(19,21)22)14(20)18-7-9-3-4-10(15)13(17)12(9)16/h3-4,8,11H,5-7H2,1-2H3,(H,18,20)
InChIKeyKULSQNJVKJMJRE-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-2-ethyl-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 71459863
(3S)-N-[(3-chloro-2-methylphenyl)methyl]-1,1-dioxo-2-propan-2-ylthiazinane-3-carboxamide
CID 71450798
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 42641248
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
(4S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71452624
(2S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67462741
(2R)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 71459843
8-oxo-N-[(2,3,4-trifluorophenyl)methyl]-6,7-dihydro-5H-quinoline-5-carboxamide
CID 155433544
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 118773366
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 95225668

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The IUPAC name of 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide (CID 42641366) is 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide is CC(C)N1C(C(=O)NCc2ccc(F)c(F)c2F)CCS1(=O)=O.
What is the InChIKey of 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide?
The InChIKey is KULSQNJVKJMJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-8(2)19-11(5-6-23(19,21)22)14(20)18-7-9-3-4-10(15)13(17)12(9)16/h3-4,8,11H,5-7H2,1-2H3,(H,18,20).
What are the key properties of 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide?
1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide has a molecular weight of 350.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-propan-2-yl-N-[(2,3,4-trifluorophenyl)methyl]-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 42641366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).