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

C10H11N3OS2 — CID 1236047

IUPAC(5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(C)c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C10H11N3OS2/c1-5-7(6(2)13(3)12-5)4-8-9(14)11-10(15)16-8/h4H,1-3H3,(H,11,14,15)/b8-4-
InChIKeyNYXUNUSKQCQQKJ-YWEYNIOJSA-N
MW253.35 g/mol
LogP1.53
Rot. Bonds1

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

(5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1236047) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID1236047
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name(5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1nn(C)c(C)c1/C=C1\SC(=S)NC1=O
InChIInChI=1S/C10H11N3OS2/c1-5-7(6(2)13(3)12-5)4-8-9(14)11-10(15)16-8/h4H,1-3H3,(H,11,14,15)/b8-4-
InChIKeyNYXUNUSKQCQQKJ-YWEYNIOJSA-N
XLogP1.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.53
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'}

Analyze (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 1236047) is (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is Cc1nn(C)c(C)c1/C=C1\SC(=S)NC1=O.
What is the InChIKey of (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NYXUNUSKQCQQKJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-5-7(6(2)13(3)12-5)4-8-9(14)11-10(15)16-8/h4H,1-3H3,(H,11,14,15)/b8-4-.
What are the key properties of (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 253.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1236047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).