(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C27H18Br2N2O2S — CID 136738011

IUPAC(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C27H18Br2N2O2S/c28-22-13-17(15-24-26(32)31-27(34-24)30-20-10-2-1-3-11-20)14-23(29)25(22)33-16-19-9-6-8-18-7-4-5-12-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-
InChIKeyWITRHQIQPLZQML-IWIPYMOSSA-N
MW594.33 g/mol
LogP7.84
Rot. Bonds5

About (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 136738011) has the molecular formula C27H18Br2N2O2S and a molecular weight of 594.33 g/mol. Its IUPAC name is (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID136738011
Molecular FormulaC27H18Br2N2O2S
Molecular Weight594.33 g/mol
Exact Mass591.95
IUPAC Name(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C27H18Br2N2O2S/c28-22-13-17(15-24-26(32)31-27(34-24)30-20-10-2-1-3-11-20)14-23(29)25(22)33-16-19-9-6-8-18-7-4-5-12-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-
InChIKeyWITRHQIQPLZQML-IWIPYMOSSA-N
XLogP7.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.33
LogP ≤ 57.84
H-Bond Donors ≤ 51
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)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-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

(5Z)-2-(4-bromophenyl)imino-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020426
(5E)-5-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063492
(5E)-5-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(3,4-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137063320
(5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137075043
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
(5Z)-5-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 137063950
(5Z)-2-(3-bromophenyl)imino-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135642613
5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135478484
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135836301
5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(3,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135449372
(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062950
(5E)-2-(3-chlorophenyl)imino-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137062766

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 136738011) is (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is WITRHQIQPLZQML-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H18Br2N2O2S/c28-22-13-17(15-24-26(32)31-27(34-24)30-20-10-2-1-3-11-20)14-23(29)25(22)33-16-19-9-6-8-18-7-4-5-12-21(18)19/h1-15H,16H2,(H,30,31,32)/b24-15-.
What are the key properties of (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 594.33 g/mol, XLogP of 7.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 136738011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).