N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C14H15N3O2S — CID 647039

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H15N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,19)
InChIKeyBKMNKEKUWCKREQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.26
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 647039) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID647039
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H15N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,19)
InChIKeyBKMNKEKUWCKREQ-UHFFFAOYSA-N
XLogP1.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-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-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 647039) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is BKMNKEKUWCKREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 647039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).