2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide

C23H22F2N4O2S — CID 134385043

IUPAC2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1cnc(NC(=O)C(F)(F)c2ccccc2)s1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H22F2N4O2S/c24-23(25,16-6-2-1-3-7-16)21(31)28-22-26-15-19(32-22)14-20(30)27-17-8-10-18(11-9-17)29-12-4-5-13-29/h1-3,6-11,15H,4-5,12-14H2,(H,27,30)(H,26,28,31)
InChIKeyKOZAWAGNYCBEFL-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.66
Rot. Bonds7

About 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide

2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 134385043) has the molecular formula C23H22F2N4O2S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID134385043
Molecular FormulaC23H22F2N4O2S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1cnc(NC(=O)C(F)(F)c2ccccc2)s1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H22F2N4O2S/c24-23(25,16-6-2-1-3-7-16)21(31)28-22-26-15-19(32-22)14-20(30)27-17-8-10-18(11-9-17)29-12-4-5-13-29/h1-3,6-11,15H,4-5,12-14H2,(H,27,30)(H,26,28,31)
InChIKeyKOZAWAGNYCBEFL-UHFFFAOYSA-N
XLogP4.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide 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 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 134385043) is 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1cnc(NC(=O)C(F)(F)c2ccccc2)s1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is KOZAWAGNYCBEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2S/c24-23(25,16-6-2-1-3-7-16)21(31)28-22-26-15-19(32-22)14-20(30)27-17-8-10-18(11-9-17)29-12-4-5-13-29/h1-3,6-11,15H,4-5,12-14H2,(H,27,30)(H,26,28,31).
What are the key properties of 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 456.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[5-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 134385043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).