(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

C24H19N3OS — CID 137071848

IUPAC(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCc1c(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)c2ccccc2n1C
InChIInChI=1S/C24H19N3OS/c1-15-19(18-11-5-6-13-21(18)27(15)2)14-22-23(28)26-24(29-22)25-20-12-7-9-16-8-3-4-10-17(16)20/h3-14H,1-2H3,(H,25,26,28)/b22-14-
InChIKeyMABUZBXVYYCUGK-HMAPJEAMSA-N
MW397.50 g/mol
LogP5.53
Rot. Bonds2

About (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (PubChem CID 137071848) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
PubChem CID137071848
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
SMILESCc1c(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)c2ccccc2n1C
InChIInChI=1S/C24H19N3OS/c1-15-19(18-11-5-6-13-21(18)27(15)2)14-22-23(28)26-24(29-22)25-20-12-7-9-16-8-3-4-10-17(16)20/h3-14H,1-2H3,(H,25,26,28)/b22-14-
InChIKeyMABUZBXVYYCUGK-HMAPJEAMSA-N
XLogP5.53
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.53
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

2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135514974
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137118450
(5Z)-2-naphthalen-1-ylimino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135563192
(5Z)-5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137101704
(5E)-5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137136548
5-[(4-fluorophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135523119
(5Z)-5-[(4-ethylphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135563218
5-[(4-hydroxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486709
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[[1-[(3-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137064811
(5Z)-2-(3,4-dimethylphenyl)imino-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135478948
(5E)-5-[(3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 136845043
(5E)-2-(2,3-dichlorophenyl)imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
CID 135603025

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one (CID 137071848) is (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is Cc1c(/C=C2\S/C(=N\c3cccc4ccccc34)NC2=O)c2ccccc2n1C.
What is the InChIKey of (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
The InChIKey is MABUZBXVYYCUGK-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H19N3OS/c1-15-19(18-11-5-6-13-21(18)27(15)2)14-22-23(28)26-24(29-22)25-20-12-7-9-16-8-3-4-10-17(16)20/h3-14H,1-2H3,(H,25,26,28)/b22-14-.
What are the key properties of (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one has a molecular weight of 397.50 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137071848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).