3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C16H10ClF3N2OS — CID 134815215

IUPAC3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-4-2-6-13(8-11)22-14(23)9-24-15(22)21-12-5-1-3-10(7-12)16(18,19)20/h1-8H,9H2/b21-15-
InChIKeyBVZQPAPLERCXIX-QNGOZBTKSA-N
MW370.78 g/mol
LogP5.13
Rot. Bonds2

About 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 134815215) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID134815215
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-4-2-6-13(8-11)22-14(23)9-24-15(22)21-12-5-1-3-10(7-12)16(18,19)20/h1-8H,9H2/b21-15-
InChIKeyBVZQPAPLERCXIX-QNGOZBTKSA-N
XLogP5.13
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyto8C4
CID 2730001
2-(Benzylsulfanyl)-1-(4-chlorophenyl)-6-oxo-1,6-dihydro-4-pyrimidinolate
CID 23704118
(Z,Z)-5-(2-Chloro-benzylidene)-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 46237047
N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135432090
N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
CID 135620566
3-(3-Chlorophenyl)-2-(2,6-difluorophenyl)thiazolidin-4-one
CID 503745
(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5892306
2-Benzylsulfanyl-3-(5-chloro-2-methylphenyl)-3,5-dihydroimidazol-4-one
CID 44295815
(2Z)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815437
4-Thiazolidinone, 3-(4-chlorophenethyl)-2-phenylimino-
CID 118666
(2z)-3-[2-(4-Chlorophenyl)ethyl]-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 118667
3-m-Tolyl-2-m-tolylimino-thiazolidin-4-one
CID 1244300

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 134815215) is 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is BVZQPAPLERCXIX-QNGOZBTKSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-11-4-2-6-13(8-11)22-14(23)9-24-15(22)21-12-5-1-3-10(7-12)16(18,19)20/h1-8H,9H2/b21-15-.
What are the key properties of 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 370.78 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 134815215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).