2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

C23H23N3O2S — CID 22170620

IUPAC2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)C(C)c2ccc(N3Cc4ccccc4C3=O)cc2)s1
InChIInChI=1S/C23H23N3O2S/c1-14(2)20-12-24-23(29-20)25-21(27)15(3)16-8-10-18(11-9-16)26-13-17-6-4-5-7-19(17)22(26)28/h4-12,14-15H,13H2,1-3H3,(H,24,25,27)
InChIKeyYKNODLIPJRGBNS-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.17
Rot. Bonds5

About 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide

2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22170620) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22170620
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1cnc(NC(=O)C(C)c2ccc(N3Cc4ccccc4C3=O)cc2)s1
InChIInChI=1S/C23H23N3O2S/c1-14(2)20-12-24-23(29-20)25-21(27)15(3)16-8-10-18(11-9-16)26-13-17-6-4-5-7-19(17)22(26)28/h4-12,14-15H,13H2,1-3H3,(H,24,25,27)
InChIKeyYKNODLIPJRGBNS-UHFFFAOYSA-N
XLogP5.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide 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-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 22170620) is 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1cnc(NC(=O)C(C)c2ccc(N3Cc4ccccc4C3=O)cc2)s1.
What is the InChIKey of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is YKNODLIPJRGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14(2)20-12-24-23(29-20)25-21(27)15(3)16-8-10-18(11-9-16)26-13-17-6-4-5-7-19(17)22(26)28/h4-12,14-15H,13H2,1-3H3,(H,24,25,27).
What are the key properties of 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide?
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 405.52 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22170620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).