(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H16ClN3O3S — CID 135734159

IUPAC(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)ccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c1-11-8-13(4-7-15(11)20)16(25)9-17-18(26)22-19(27-17)23-21-10-12-2-5-14(24)6-3-12/h2-8,10,17,24H,9H2,1H3,(H,22,23,26)/b21-10+
InChIKeyDTOCBQVYHIBHAM-UFFVCSGVSA-N
MW401.88 g/mol
LogP3.55
Rot. Bonds5

About (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135734159) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135734159
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)ccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c1-11-8-13(4-7-15(11)20)16(25)9-17-18(26)22-19(27-17)23-21-10-12-2-5-14(24)6-3-12/h2-8,10,17,24H,9H2,1H3,(H,22,23,26)/b21-10+
InChIKeyDTOCBQVYHIBHAM-UFFVCSGVSA-N
XLogP3.55
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one 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

(2E)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734160
(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135757222
(2Z,5R)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 136694759
5-ethyl-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135476302
(2E)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706901
2-[(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135852241
2-[(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 136829640
(2E)-5-[2-(4-bromophenyl)-2-oxoethyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135847141
ethyl 4-[[2-[(2E)-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 135659487
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437
5-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135522216
(2Z)-5-[2-(3,4-dimethylphenyl)-2-oxoethyl]-2-[(E)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135762152

Frequently Asked Questions

What is the IUPAC name of (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135734159) is (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(C(=O)CC2S/C(=N/N=C/c3ccc(O)cc3)NC2=O)ccc1Cl.
What is the InChIKey of (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DTOCBQVYHIBHAM-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11-8-13(4-7-15(11)20)16(25)9-17-18(26)22-19(27-17)23-21-10-12-2-5-14(24)6-3-12/h2-8,10,17,24H,9H2,1H3,(H,22,23,26)/b21-10+.
What are the key properties of (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 401.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(E)-(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135734159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).