(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C23H18BrClN2O2S — CID 126019750

IUPAC(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(Br)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C23H18BrClN2O2S/c1-3-29-20-11-8-14-6-4-5-7-16(14)17(20)13-21-22(28)27(2)23(30-21)26-15-9-10-18(24)19(25)12-15/h4-13H,3H2,1-2H3/b21-13-,26-23+
InChIKeyLSOPRMQFNCUPQG-DISDYRDVSA-N
MW501.83 g/mol
LogP6.89
Rot. Bonds4

About (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 126019750) has the molecular formula C23H18BrClN2O2S and a molecular weight of 501.83 g/mol. Its IUPAC name is (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID126019750
Molecular FormulaC23H18BrClN2O2S
Molecular Weight501.83 g/mol
Exact Mass500.00
IUPAC Name(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(Br)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C23H18BrClN2O2S/c1-3-29-20-11-8-14-6-4-5-7-16(14)17(20)13-21-22(28)27(2)23(30-21)26-15-9-10-18(24)19(25)12-15/h4-13H,3H2,1-2H3/b21-13-,26-23+
InChIKeyLSOPRMQFNCUPQG-DISDYRDVSA-N
XLogP6.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.83
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-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

ethyl 2-[3-[(E)-[2-(4-bromo-3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methylindol-1-yl]acetate
CID 126018921
3-[[(5E)-3-methyl-4-oxo-5-[(2-propoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 126067655
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 126026841
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126113030
methyl 4-[[(5Z)-5-[(2,7-diethoxynaphthalen-1-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 21227885
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 126027096
(5E)-2-(4-bromo-3-chlorophenyl)imino-5-[[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126093246
(5E)-2-(4-bromo-3-chlorophenyl)imino-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126025215
(5E)-2-(4-bromo-3-chlorophenyl)imino-5-[(3,4-diethoxy-5-iodophenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126019653
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2,4-diethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 126021040
(5Z)-2-(4-chlorophenyl)imino-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 1228744
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 126018789

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 126019750) is (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(Br)c(Cl)c2)N(C)C1=O.
What is the InChIKey of (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is LSOPRMQFNCUPQG-DISDYRDVSA-N. The full InChI is InChI=1S/C23H18BrClN2O2S/c1-3-29-20-11-8-14-6-4-5-7-16(14)17(20)13-21-22(28)27(2)23(30-21)26-15-9-10-18(24)19(25)12-15/h4-13H,3H2,1-2H3/b21-13-,26-23+.
What are the key properties of (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 501.83 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-bromo-3-chlorophenyl)imino-5-[(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 126019750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).