(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C23H20BrN3O2S — CID 6581784

IUPAC(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(Br)cc1/C=N\N=C1\S[C@@H](C)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C23H20BrN3O2S/c1-15-22(28)27(14-17-8-5-7-16-6-3-4-9-20(16)17)23(30-15)26-25-13-18-12-19(24)10-11-21(18)29-2/h3-13,15H,14H2,1-2H3/b25-13-,26-23+/t15-/m0/s1
InChIKeyGDFOLGCBAKLQLZ-VWKWHXGPSA-N
MW482.40 g/mol
LogP5.46
Rot. Bonds5

About (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 6581784) has the molecular formula C23H20BrN3O2S and a molecular weight of 482.40 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID6581784
Molecular FormulaC23H20BrN3O2S
Molecular Weight482.40 g/mol
Exact Mass481.05
IUPAC Name(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(Br)cc1/C=N\N=C1\S[C@@H](C)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C23H20BrN3O2S/c1-15-22(28)27(14-17-8-5-7-16-6-3-4-9-20(16)17)23(30-15)26-25-13-18-12-19(24)10-11-21(18)29-2/h3-13,15H,14H2,1-2H3/b25-13-,26-23+/t15-/m0/s1
InChIKeyGDFOLGCBAKLQLZ-VWKWHXGPSA-N
XLogP5.46
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 51666822
(2Z,5S)-5-ethyl-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7411954
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625
(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7413332
(2Z)-2-[(E)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-butyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 46861478
5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 3337148
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
CID 3699869
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 3724860
(2E,5S)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6583921
(2E,5S)-5-butyl-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 41020629
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 27480766
(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 71710841

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 6581784) is (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is COc1ccc(Br)cc1/C=N\N=C1\S[C@@H](C)C(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is GDFOLGCBAKLQLZ-VWKWHXGPSA-N. The full InChI is InChI=1S/C23H20BrN3O2S/c1-15-22(28)27(14-17-8-5-7-16-6-3-4-9-20(16)17)23(30-15)26-25-13-18-12-19(24)10-11-21(18)29-2/h3-13,15H,14H2,1-2H3/b25-13-,26-23+/t15-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 482.40 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6581784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).