N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide

C19H14N2O3S — CID 18884923

IUPACN-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1N1C(=O)CS/C1=N\C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H14N2O3S/c1-12-6-2-4-8-14(12)21-17(22)11-25-19(21)20-18(23)16-10-13-7-3-5-9-15(13)24-16/h2-10H,11H2,1H3/b20-19-
InChIKeyOKTGLKLZDANBQX-VXPUYCOJSA-N
MW350.40 g/mol
LogP4.02
Rot. Bonds2

About N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide

N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide (PubChem CID 18884923) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide
PubChem CID18884923
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC NameN-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1N1C(=O)CS/C1=N\C(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H14N2O3S/c1-12-6-2-4-8-14(12)21-17(22)11-25-19(21)20-18(23)16-10-13-7-3-5-9-15(13)24-16/h2-10H,11H2,1H3/b20-19-
InChIKeyOKTGLKLZDANBQX-VXPUYCOJSA-N
XLogP4.02
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide 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 N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide (CID 18884923) is N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide is Cc1ccccc1N1C(=O)CS/C1=N\C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide?
The InChIKey is OKTGLKLZDANBQX-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-12-6-2-4-8-14(12)21-17(22)11-25-19(21)20-18(23)16-10-13-7-3-5-9-15(13)24-16/h2-10H,11H2,1H3/b20-19-.
What are the key properties of N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide?
N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18884923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).