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

C9H11N5OS — CID 135995765

IUPAC(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1nn(C)cc1/C=N\N=C1\NC(=O)CS1
InChIInChI=1S/C9H11N5OS/c1-6-7(4-14(2)13-6)3-10-12-9-11-8(15)5-16-9/h3-4H,5H2,1-2H3,(H,11,12,15)/b10-3-
InChIKeyIDQYNTNAYYVBSN-KMKOMSMNSA-N
MW237.29 g/mol
LogP0.28
Rot. Bonds2

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

(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135995765) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135995765
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1nn(C)cc1/C=N\N=C1\NC(=O)CS1
InChIInChI=1S/C9H11N5OS/c1-6-7(4-14(2)13-6)3-10-12-9-11-8(15)5-16-9/h3-4H,5H2,1-2H3,(H,11,12,15)/b10-3-
InChIKeyIDQYNTNAYYVBSN-KMKOMSMNSA-N
XLogP0.28
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.28
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135995765) is (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1nn(C)cc1/C=N\N=C1\NC(=O)CS1.
What is the InChIKey of (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IDQYNTNAYYVBSN-KMKOMSMNSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-6-7(4-14(2)13-6)3-10-12-9-11-8(15)5-16-9/h3-4H,5H2,1-2H3,(H,11,12,15)/b10-3-.
What are the key properties of (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 237.29 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135995765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).