(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C27H19BrN2O2S — CID 137062950

IUPAC(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H19BrN2O2S/c28-23-10-3-4-11-24(23)29-27-30-26(31)25(33-27)16-18-12-14-21(15-13-18)32-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16H,17H2,(H,29,30,31)/b25-16+
InChIKeyHMGUVSZDARZURY-PCLIKHOPSA-N
MW515.43 g/mol
LogP7.07
Rot. Bonds5

About (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137062950) has the molecular formula C27H19BrN2O2S and a molecular weight of 515.43 g/mol. Its IUPAC name is (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137062950
Molecular FormulaC27H19BrN2O2S
Molecular Weight515.43 g/mol
Exact Mass514.04
IUPAC Name(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H19BrN2O2S/c28-23-10-3-4-11-24(23)29-27-30-26(31)25(33-27)16-18-12-14-21(15-13-18)32-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16H,17H2,(H,29,30,31)/b25-16+
InChIKeyHMGUVSZDARZURY-PCLIKHOPSA-N
XLogP7.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.43
LogP ≤ 57.07
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'}

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Related Compounds

(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137101707
(5E)-2-(3-iodophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137063072
(5Z)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 136738011
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-2-(4-bromophenyl)imino-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137020426
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119
(5E)-2-(2-bromophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782339
2-(4-chlorophenyl)imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135447081
(5E)-2-(2,3-dichlorophenyl)imino-5-[[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080951
(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135563218
(5Z)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137107984
(5Z)-2-(2-bromophenyl)imino-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 135844353

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137062950) is (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HMGUVSZDARZURY-PCLIKHOPSA-N. The full InChI is InChI=1S/C27H19BrN2O2S/c28-23-10-3-4-11-24(23)29-27-30-26(31)25(33-27)16-18-12-14-21(15-13-18)32-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-16H,17H2,(H,29,30,31)/b25-16+.
What are the key properties of (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 515.43 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-bromophenyl)imino-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137062950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).