3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

C27H21N3O3S — CID 108762342

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C27H21N3O3S/c31-24(14-15-30-26(32)21-8-4-5-9-22(21)27(30)33)28-16-18-10-12-20(13-11-18)25-29-23(17-34-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,28,31)
InChIKeyVHGQPYHZRDNMPC-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.78
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (PubChem CID 108762342) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
PubChem CID108762342
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C27H21N3O3S/c31-24(14-15-30-26(32)21-8-4-5-9-22(21)27(30)33)28-16-18-10-12-20(13-11-18)25-29-23(17-34-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,28,31)
InChIKeyVHGQPYHZRDNMPC-UHFFFAOYSA-N
XLogP4.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751433
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
N'-(4-fluorophenyl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanediamide
CID 108762347
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]propanamide
CID 24525146
3-(2-chlorophenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108802336
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide (CID 108762342) is 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
The InChIKey is VHGQPYHZRDNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S/c31-24(14-15-30-26(32)21-8-4-5-9-22(21)27(30)33)28-16-18-10-12-20(13-11-18)25-29-23(17-34-25)19-6-2-1-3-7-19/h1-13,17H,14-16H2,(H,28,31).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide has a molecular weight of 467.55 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 108762342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).