N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C22H19N3O3S — CID 55866187

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cs1
InChIInChI=1S/C22H19N3O3S/c1-14-24-17(13-29-14)12-23-20(26)16-7-8-18-19(11-16)22(28)25(21(18)27)10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,26)
InChIKeyOFTNCNDPPMLFFJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.22
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 55866187) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID55866187
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cs1
InChIInChI=1S/C22H19N3O3S/c1-14-24-17(13-29-14)12-23-20(26)16-7-8-18-19(11-16)22(28)25(21(18)27)10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,26)
InChIKeyOFTNCNDPPMLFFJ-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.22
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-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 108769722
N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108760495
(2-methyl-1,3-thiazol-4-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489718
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-(3-methyl-2-pyridinyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 35032203
2-butyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 24552864
N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26777955
N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766212
N-(6-ethyl-1,3-benzothiazol-2-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 108767782

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 55866187) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is OFTNCNDPPMLFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-24-17(13-29-14)12-23-20(26)16-7-8-18-19(11-16)22(28)25(21(18)27)10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,26).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 55866187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).