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

C19H15N3OS — CID 135523528

IUPAC5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCn1c(C=C2S/C(=N/c3ccccc3)NC2=O)cc2ccccc21
InChIInChI=1S/C19H15N3OS/c1-22-15(11-13-7-5-6-10-16(13)22)12-17-18(23)21-19(24-17)20-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21,23)
InChIKeyVGWNPABJUQSJIQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.07
Rot. Bonds2

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

5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135523528) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135523528
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCn1c(C=C2S/C(=N/c3ccccc3)NC2=O)cc2ccccc21
InChIInChI=1S/C19H15N3OS/c1-22-15(11-13-7-5-6-10-16(13)22)12-17-18(23)21-19(24-17)20-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21,23)
InChIKeyVGWNPABJUQSJIQ-UHFFFAOYSA-N
XLogP4.07
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529219
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137118450
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135482537
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
5-benzylidene-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135516156
2-(4-bromophenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135463852
(5E)-2-phenylimino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135509300
5-[(1-methylindol-3-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135491642
(5E)-2-(4-methoxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135766111
4-[[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135465749
(5Z)-2-(3-hydroxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529570

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135523528) is 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is Cn1c(C=C2S/C(=N/c3ccccc3)NC2=O)cc2ccccc21.
What is the InChIKey of 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VGWNPABJUQSJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-22-15(11-13-7-5-6-10-16(13)22)12-17-18(23)21-19(24-17)20-14-8-3-2-4-9-14/h2-12H,1H3,(H,20,21,23).
What are the key properties of 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 333.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).