(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide

C11H8N2O3S2 — CID 134134711

IUPAC(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=S)NC1=O)Nc1cccc(O)c1
InChIInChI=1S/C11H8N2O3S2/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5-
InChIKeyAIUQGFAQXAHHII-YVMONPNESA-N
MW280.33 g/mol
LogP1.36
Rot. Bonds2

About (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide

(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide (PubChem CID 134134711) has the molecular formula C11H8N2O3S2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide
PubChem CID134134711
Molecular FormulaC11H8N2O3S2
Molecular Weight280.33 g/mol
Exact Mass280.00
IUPAC Name(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide
SMILESO=C(/C=C1\SC(=S)NC1=O)Nc1cccc(O)c1
InChIInChI=1S/C11H8N2O3S2/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5-
InChIKeyAIUQGFAQXAHHII-YVMONPNESA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
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 (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide 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 (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide?
The IUPAC name of (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide (CID 134134711) is (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide?
The canonical SMILES for (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide is O=C(/C=C1\SC(=S)NC1=O)Nc1cccc(O)c1.
What is the InChIKey of (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide?
The InChIKey is AIUQGFAQXAHHII-YVMONPNESA-N. The full InChI is InChI=1S/C11H8N2O3S2/c14-7-3-1-2-6(4-7)12-9(15)5-8-10(16)13-11(17)18-8/h1-5,14H,(H,12,15)(H,13,16,17)/b8-5-.
What are the key properties of (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide?
(2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide has a molecular weight of 280.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-hydroxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)acetamide is sourced from PubChem (CID 134134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).