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

C18H13BrF3N3O2S — CID 135915552

IUPACN-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrF3N3O2S/c19-11-4-6-12(7-5-11)23-15(26)9-14-16(27)25-17(28-14)24-13-3-1-2-10(8-13)18(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25,27)/t14-/m1/s1
InChIKeyIFZPPFDWOFMGMI-CQSZACIVSA-N
MW472.29 g/mol
LogP4.72
Rot. Bonds4

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

N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135915552) has the molecular formula C18H13BrF3N3O2S and a molecular weight of 472.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135915552
Molecular FormulaC18H13BrF3N3O2S
Molecular Weight472.29 g/mol
Exact Mass470.99
IUPAC NameN-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrF3N3O2S/c19-11-4-6-12(7-5-11)23-15(26)9-14-16(27)25-17(28-14)24-13-3-1-2-10(8-13)18(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25,27)/t14-/m1/s1
InChIKeyIFZPPFDWOFMGMI-CQSZACIVSA-N
XLogP4.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.29
LogP ≤ 54.72
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
2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135665664
N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135468917
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135956752
N-(4-bromophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135689420
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
4-[[2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135703936
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135858256
2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691620
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
(5S)-2-(4-bromophenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135912748

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 135915552) is N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is IFZPPFDWOFMGMI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H13BrF3N3O2S/c19-11-4-6-12(7-5-11)23-15(26)9-14-16(27)25-17(28-14)24-13-3-1-2-10(8-13)18(20,21)22/h1-8,14H,9H2,(H,23,26)(H,24,25,27)/t14-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?
N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 472.29 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135915552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).