2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

C16H11Cl3N2OS — CID 135517128

IUPAC2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,13H,8H2,(H,20,21,22)
InChIKeyLPFXTJFIRLVDEP-UHFFFAOYSA-N
MW385.70 g/mol
LogP5.11
Rot. Bonds3

About 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135517128) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135517128
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,13H,8H2,(H,20,21,22)
InChIKeyLPFXTJFIRLVDEP-UHFFFAOYSA-N
XLogP5.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chlorophenyl)imino-5-cyclohexyl-1,3-thiazolidin-4-one
CID 135989342
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
5-(2,3-Dichloro-benzyl)-2-phenylimino-thiazolidin-4-one
CID 135414121
(E)-2-((4-chlorophenyl)imino)-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one
CID 135414745
2-((4-Chlorophenyl)imino)-5-(2-nitrobenzyl)-1,3-thiazolidin-4-one
CID 86261399
5-(4-Chlorobenzyl)-2-((4-chlorophenyl)imino)-1,3-thiazolidin-4-one
CID 135414218
(2E)-2-[(4-chlorophenyl)imino]-5-(2,5-dichlorobenzyl)-1,3-thiazolidin-4-one
CID 135485299
2-(3-Chloro-phenylimino)-5-(2,3-dichloro-benzyl)-thiazolidin-4-one
CID 135510965
2-((4-Bromophenyl)imino)-5-(3,4-dichlorobenzyl)-1,3-thiazolidin-4-one
CID 135473230
(E)-5-benzyl-2-((4-chlorophenyl)imino)thiazolidin-4-one
CID 135414149
(E)-2-((4-chlorophenyl)imino)-5-(3-nitrobenzyl)thiazolidin-4-one
CID 86261402
(Z)-5-(3-chlorobenzyl)-2-(phenylimino)thiazolidin-4-one
CID 135406356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135517128) is 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)cc2)SC1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LPFXTJFIRLVDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c17-10-4-6-11(7-5-10)20-16-21-15(22)13(23-16)8-9-2-1-3-12(18)14(9)19/h1-7,13H,8H2,(H,20,21,22).
What are the key properties of 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 385.70 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135517128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).