N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide

C15H13ClF3N3O2S — CID 135682444

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
SMILESC=CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1
InChIInChI=1S/C15H13ClF3N3O2S/c1-2-5-20-14-22-13(24)11(25-14)7-12(23)21-8-3-4-10(16)9(6-8)15(17,18)19/h2-4,6,11H,1,5,7H2,(H,21,23)(H,20,22,24)/t11-/m1/s1
InChIKeyDHIJBORMEBPAQL-LLVKDONJSA-N
MW391.80 g/mol
LogP3.46
Rot. Bonds5

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135682444) has the molecular formula C15H13ClF3N3O2S and a molecular weight of 391.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135682444
Molecular FormulaC15H13ClF3N3O2S
Molecular Weight391.80 g/mol
Exact Mass391.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
SMILESC=CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1
InChIInChI=1S/C15H13ClF3N3O2S/c1-2-5-20-14-22-13(24)11(25-14)7-12(23)21-8-3-4-10(16)9(6-8)15(17,18)19/h2-4,6,11H,1,5,7H2,(H,21,23)(H,20,22,24)/t11-/m1/s1
InChIKeyDHIJBORMEBPAQL-LLVKDONJSA-N
XLogP3.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135535522
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2E)-2-[(E)-1-(4-methoxyphenyl)propylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135666023
N-naphthalen-1-yl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135673184
N-(3-chlorophenyl)-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927427
N-benzyl-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135952194
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 135535538
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135724972
N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927454
N-(2-nitrophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135449402
N-benzyl-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135460872

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide (CID 135682444) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide is C=CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DHIJBORMEBPAQL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2S/c1-2-5-20-14-22-13(24)11(25-14)7-12(23)21-8-3-4-10(16)9(6-8)15(17,18)19/h2-4,6,11H,1,5,7H2,(H,21,23)(H,20,22,24)/t11-/m1/s1.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 391.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135682444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).