(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C8H9N5OS — CID 135473038

IUPAC(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCn1ccc(/C=N/N=C2/NC(=O)CS2)n1
InChIInChI=1S/C8H9N5OS/c1-13-3-2-6(12-13)4-9-11-8-10-7(14)5-15-8/h2-4H,5H2,1H3,(H,10,11,14)/b9-4+
InChIKeyIQJNUKOIIFRVPM-RUDMXATFSA-N
MW223.26 g/mol
LogP-0.03
Rot. Bonds2

About (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135473038) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135473038
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCn1ccc(/C=N/N=C2/NC(=O)CS2)n1
InChIInChI=1S/C8H9N5OS/c1-13-3-2-6(12-13)4-9-11-8-10-7(14)5-15-8/h2-4H,5H2,1H3,(H,10,11,14)/b9-4+
InChIKeyIQJNUKOIIFRVPM-RUDMXATFSA-N
XLogP-0.03
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135995765
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2Z)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958947
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
(2Z)-2-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135529664
2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576530
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135473038) is (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cn1ccc(/C=N/N=C2/NC(=O)CS2)n1.
What is the InChIKey of (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IQJNUKOIIFRVPM-RUDMXATFSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-13-3-2-6(12-13)4-9-11-8-10-7(14)5-15-8/h2-4H,5H2,1H3,(H,10,11,14)/b9-4+.
What are the key properties of (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 223.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(1-methylpyrazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135473038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).