2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

C18H16N4O3S2 — CID 46203766

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H16N4O3S2/c23-14-8-4-1-5-11(14)17-22(16(25)10-26-17)21-15(24)9-27-18-19-12-6-2-3-7-13(12)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24)
InChIKeyFRKRWJNJLYNZJS-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.67
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 46203766) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID46203766
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccccc1O
InChIInChI=1S/C18H16N4O3S2/c23-14-8-4-1-5-11(14)17-22(16(25)10-26-17)21-15(24)9-27-18-19-12-6-2-3-7-13(12)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24)
InChIKeyFRKRWJNJLYNZJS-UHFFFAOYSA-N
XLogP2.67
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]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 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 46203766) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CSC1c1ccccc1O.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is FRKRWJNJLYNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-14-8-4-1-5-11(14)17-22(16(25)10-26-17)21-15(24)9-27-18-19-12-6-2-3-7-13(12)20-18/h1-8,17,23H,9-10H2,(H,19,20)(H,21,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 400.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 46203766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).