N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C23H21N3O3S — CID 4791355

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1
InChIInChI=1S/C23H21N3O3S/c1-14-9-10-15(2)18(12-14)19-13-30-23(24-19)25-20(27)8-5-11-26-21(28)16-6-3-4-7-17(16)22(26)29/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,24,25,27)
InChIKeyLGISYOSPNMYYCN-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 4791355) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID4791355
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1
InChIInChI=1S/C23H21N3O3S/c1-14-9-10-15(2)18(12-14)19-13-30-23(24-19)25-20(27)8-5-11-26-21(28)16-6-3-4-7-17(16)22(26)29/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,24,25,27)
InChIKeyLGISYOSPNMYYCN-UHFFFAOYSA-N
XLogP4.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791353
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 35721990
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-oxocinnolin-1-yl)propanamide
CID 16568422
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19197271
4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19197245
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 39072716

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 4791355) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc(C)c(-c2csc(NC(=O)CCCN3C(=O)c4ccccc4C3=O)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is LGISYOSPNMYYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-9-10-15(2)18(12-14)19-13-30-23(24-19)25-20(27)8-5-11-26-21(28)16-6-3-4-7-17(16)22(26)29/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 419.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 4791355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).