(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C18H14ClNO3S — CID 16634011

IUPAC(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C18H14ClNO3S/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(19)8-13(15)9-16-17(21)20-18(22)24-16/h2-9H,10H2,1H3,(H,20,21,22)/b16-9-
InChIKeyPPCOFCZOUWMRHW-SXGWCWSVSA-N
MW359.83 g/mol
LogP4.55
Rot. Bonds4

About (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 16634011) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID16634011
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C18H14ClNO3S/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(19)8-13(15)9-16-17(21)20-18(22)24-16/h2-9H,10H2,1H3,(H,20,21,22)/b16-9-
InChIKeyPPCOFCZOUWMRHW-SXGWCWSVSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione 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

(5Z)-5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137074887
5-[[5-chloro-2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2895966
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
(5Z)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792400
(5Z)-5-[[2-[(3-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 16634014
2-[4-chloro-2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 18808576
(5Z)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 16634009
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
4-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 4676936
4-[[4-chloro-2-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 137073633
(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155679
(5E)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2272155

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 16634011) is (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PPCOFCZOUWMRHW-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-11-2-4-12(5-3-11)10-23-15-7-6-14(19)8-13(15)9-16-17(21)20-18(22)24-16/h2-9H,10H2,1H3,(H,20,21,22)/b16-9-.
What are the key properties of (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16634011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).