5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one

C14H10N6OS2 — CID 137099356

IUPAC5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
SMILESNc1ncc(C=C2S/C(=N\c3ccc4cn[nH]c4c3)NC2=O)s1
InChIInChI=1S/C14H10N6OS2/c15-13-16-6-9(22-13)4-11-12(21)19-14(23-11)18-8-2-1-7-5-17-20-10(7)3-8/h1-6H,(H2,15,16)(H,17,20)(H,18,19,21)
InChIKeyCHCWDRJWHPXWKH-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.49
Rot. Bonds2

About 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one

5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one (PubChem CID 137099356) has the molecular formula C14H10N6OS2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
PubChem CID137099356
Molecular FormulaC14H10N6OS2
Molecular Weight342.41 g/mol
Exact Mass342.04
IUPAC Name5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
SMILESNc1ncc(C=C2S/C(=N\c3ccc4cn[nH]c4c3)NC2=O)s1
InChIInChI=1S/C14H10N6OS2/c15-13-16-6-9(22-13)4-11-12(21)19-14(23-11)18-8-2-1-7-5-17-20-10(7)3-8/h1-6H,(H2,15,16)(H,17,20)(H,18,19,21)
InChIKeyCHCWDRJWHPXWKH-UHFFFAOYSA-N
XLogP2.49
TPSA109.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[4-(dimethylamino)butylamino]-1,3-thiazol-5-yl]methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one
CID 137082149
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(2,3-dihydro-1H-inden-4-ylimino)-1,3-thiazolidin-4-one
CID 137068891
N-[5-[[2-(1-methylindol-6-yl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 137044981
(5E)-5-[(5-bromothiophen-2-yl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135868145
(5Z)-5-[(4-fluorophenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135602947
2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135766073
(5E)-2-(3,4-dimethylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135444302
(5Z)-2-(1,3-benzodioxol-5-ylimino)-5-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 135643689
(5E)-2-(4-chloro-3-methylphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135481588
5-[(5-bromofuran-2-yl)methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523001
4-[(Z)-(2-naphthalen-2-ylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135766173

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one (CID 137099356) is 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one is Nc1ncc(C=C2S/C(=N\c3ccc4cn[nH]c4c3)NC2=O)s1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is CHCWDRJWHPXWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS2/c15-13-16-6-9(22-13)4-11-12(21)19-14(23-11)18-8-2-1-7-5-17-20-10(7)3-8/h1-6H,(H2,15,16)(H,17,20)(H,18,19,21).
What are the key properties of 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one?
5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 342.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-5-yl)methylidene]-2-(1H-indazol-6-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 137099356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).