2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C18H14F3N3O2S — CID 135665664

IUPAC2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)11-5-4-8-13(9-11)23-17-24-16(26)14(27-17)10-15(25)22-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,22,25)(H,23,24,26)/t14-/m1/s1
InChIKeyMGHXRNQQRSHYLC-CQSZACIVSA-N
MW393.39 g/mol
LogP3.95
Rot. Bonds4

About 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135665664) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID135665664
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)11-5-4-8-13(9-11)23-17-24-16(26)14(27-17)10-15(25)22-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,22,25)(H,23,24,26)/t14-/m1/s1
InChIKeyMGHXRNQQRSHYLC-CQSZACIVSA-N
XLogP3.95
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135665667
N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135915552
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135956752
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-[(2Z,5S)-4-oxo-2-[(Z)-[3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135920563
4-[[2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135703936
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135833982
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150
2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691620
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
N-(3-chlorophenyl)-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927427
2-[(5S)-2-(3-chloro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135834011

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135665664) is 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is MGHXRNQQRSHYLC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)11-5-4-8-13(9-11)23-17-24-16(26)14(27-17)10-15(25)22-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,22,25)(H,23,24,26)/t14-/m1/s1.
What are the key properties of 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 393.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135665664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).