5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one

C16H14N4OS2 — CID 137068891

IUPAC5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one
SMILESNc1ncc(C=C2S/C(=N\c3cccc4c3CCC4)NC2=O)s1
InChIInChI=1S/C16H14N4OS2/c17-15-18-8-10(22-15)7-13-14(21)20-16(23-13)19-12-6-2-4-9-3-1-5-11(9)12/h2,4,6-8H,1,3,5H2,(H2,17,18)(H,19,20,21)
InChIKeyOVDJOHQGIHGDMZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.11
Rot. Bonds2

About 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one

5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one (PubChem CID 137068891) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one
PubChem CID137068891
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one
SMILESNc1ncc(C=C2S/C(=N\c3cccc4c3CCC4)NC2=O)s1
InChIInChI=1S/C16H14N4OS2/c17-15-18-8-10(22-15)7-13-14(21)20-16(23-13)19-12-6-2-4-9-3-1-5-11(9)12/h2,4,6-8H,1,3,5H2,(H2,17,18)(H,19,20,21)
InChIKeyOVDJOHQGIHGDMZ-UHFFFAOYSA-N
XLogP3.11
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137108476
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
CID 137099356
3-[5-[[2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 137098309
N-[4-[[5-[(2-acetamido-1,3-thiazol-5-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-3-methylphenyl]acetamide
CID 137139971
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137128991
N-[5-[[2-(2,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
CID 137023194
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135426157
2-naphthalen-1-ylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135523457
2-[[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834503
(5Z)-2-(2-methylphenyl)imino-5-[(2,4,5-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089313
2-(2,3-dimethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135496486

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one (CID 137068891) is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one is Nc1ncc(C=C2S/C(=N\c3cccc4c3CCC4)NC2=O)s1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is OVDJOHQGIHGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c17-15-18-8-10(22-15)7-13-14(21)20-16(23-13)19-12-6-2-4-9-3-1-5-11(9)12/h2,4,6-8H,1,3,5H2,(H2,17,18)(H,19,20,21).
What are the key properties of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one?
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 342.45 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137068891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).