(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H15N3OS2 — CID 132585626

IUPAC(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1CCN(/C=C2\SC(=S)NC2=O)CC1
InChIInChI=1S/C10H15N3OS2/c1-2-12-3-5-13(6-4-12)7-8-9(14)11-10(15)16-8/h7H,2-6H2,1H3,(H,11,14,15)/b8-7-
InChIKeyJAIKKSJAWBYJKJ-FPLPWBNLSA-N
MW257.38 g/mol
LogP0.61
Rot. Bonds2

About (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 132585626) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID132585626
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN1CCN(/C=C2\SC(=S)NC2=O)CC1
InChIInChI=1S/C10H15N3OS2/c1-2-12-3-5-13(6-4-12)7-8-9(14)11-10(15)16-8/h7H,2-6H2,1H3,(H,11,14,15)/b8-7-
InChIKeyJAIKKSJAWBYJKJ-FPLPWBNLSA-N
XLogP0.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 132585626) is (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCN1CCN(/C=C2\SC(=S)NC2=O)CC1.
What is the InChIKey of (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JAIKKSJAWBYJKJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-2-12-3-5-13(6-4-12)7-8-9(14)11-10(15)16-8/h7H,2-6H2,1H3,(H,11,14,15)/b8-7-.
What are the key properties of (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 257.38 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethylpiperazin-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 132585626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).