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

C16H12Cl2N2OS — CID 135414218

IUPAC2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyGGHAKSUARLJHQT-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.46
Rot. Bonds3

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

2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135414218) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135414218
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC Name2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(Cl)cc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyGGHAKSUARLJHQT-UHFFFAOYSA-N
XLogP4.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.46
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-cyclopentyl-1,3-thiazolidin-4-one
CID 135989247
2-(2-Chlorophenyl)imino-5-cyclohexyl-1,3-thiazolidin-4-one
CID 135989342
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
2-[(4-amino-6-oxo-5-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-(4-chlorophenyl)acetamide
CID 135455134
2-(4-Chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-4-thiazolone
CID 135517128
(E)-5-(4-fluorobenzyl)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135473286
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
(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
5-[[4-[(4-Chlorophenyl)diazenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 162649166

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135414218) is 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2)SC1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GGHAKSUARLJHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21).
What are the key properties of 2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 351.26 g/mol, XLogP of 4.46, 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-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).