(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C20H17N3OS — CID 137118450

IUPAC(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1c(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc2n1C
InChIInChI=1S/C20H17N3OS/c1-13-16(15-10-6-7-11-17(15)23(13)2)12-18-19(24)22-20(25-18)21-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,22,24)/b18-12+
InChIKeyZXVXLNYJWLNNLP-LDADJPATSA-N
MW347.44 g/mol
LogP4.38
Rot. Bonds2

About (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 137118450) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID137118450
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCc1c(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc2n1C
InChIInChI=1S/C20H17N3OS/c1-13-16(15-10-6-7-11-17(15)23(13)2)12-18-19(24)22-20(25-18)21-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,22,24)/b18-12+
InChIKeyZXVXLNYJWLNNLP-LDADJPATSA-N
XLogP4.38
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.38
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)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 137071848
2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135514974
5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135523528
(5Z)-2-(3,4-dimethylphenyl)imino-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135478948
4-[[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135465749
(5Z)-2-(4-ethylphenyl)imino-5-[[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137021389
2-[[3-[[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methylindol-1-yl]methyl]benzonitrile
CID 135521035
5-[(1-methylindol-3-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135491642
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537
(5Z)-5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137101704
(5E)-2-(4-methoxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135766111
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137120482

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 137118450) is (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is Cc1c(/C=C2/S/C(=N\c3ccccc3)NC2=O)c2ccccc2n1C.
What is the InChIKey of (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is ZXVXLNYJWLNNLP-LDADJPATSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-16(15-10-6-7-11-17(15)23(13)2)12-18-19(24)22-20(25-18)21-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,22,24)/b18-12+.
What are the key properties of (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137118450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).