(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

C18H17N3O3S — CID 126463069

IUPAC(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C1N[C@H](C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)CS1
InChIInChI=1S/C18H17N3O3S/c22-17(15-10-25-18(23)21-15)20-9-14-7-13-6-11(3-4-16(13)24-14)12-2-1-5-19-8-12/h1-6,8,14-15H,7,9-10H2,(H,20,22)(H,21,23)/t14?,15-/m0/s1
InChIKeyQKNPPDQWGJMILS-LOACHALJSA-N
MW355.42 g/mol
LogP1.99
Rot. Bonds4

About (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 126463069) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID126463069
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C1N[C@H](C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)CS1
InChIInChI=1S/C18H17N3O3S/c22-17(15-10-25-18(23)21-15)20-9-14-7-13-6-11(3-4-16(13)24-14)12-2-1-5-19-8-12/h1-6,8,14-15H,7,9-10H2,(H,20,22)(H,21,23)/t14?,15-/m0/s1
InChIKeyQKNPPDQWGJMILS-LOACHALJSA-N
XLogP1.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-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 (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 126463069) is (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide is O=C1N[C@H](C(=O)NCC2Cc3cc(-c4cccnc4)ccc3O2)CS1.
What is the InChIKey of (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QKNPPDQWGJMILS-LOACHALJSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-17(15-10-25-18(23)21-15)20-9-14-7-13-6-11(3-4-16(13)24-14)12-2-1-5-19-8-12/h1-6,8,14-15H,7,9-10H2,(H,20,22)(H,21,23)/t14?,15-/m0/s1.
What are the key properties of (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[(5-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 126463069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).