N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C21H19N3O2S — CID 95140328

IUPACN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C1N[C@@H](CC(=O)N(Cc2ccccc2)Cc2nccs2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c25-20(12-18-16-8-4-5-9-17(16)21(26)23-18)24(14-19-22-10-11-27-19)13-15-6-2-1-3-7-15/h1-11,18H,12-14H2,(H,23,26)/t18-/m0/s1
InChIKeyFQMXXIRBRYOZNZ-SFHVURJKSA-N
MW377.47 g/mol
LogP3.55
Rot. Bonds6

About N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 95140328) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID95140328
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C1N[C@@H](CC(=O)N(Cc2ccccc2)Cc2nccs2)c2ccccc21
InChIInChI=1S/C21H19N3O2S/c25-20(12-18-16-8-4-5-9-17(16)21(26)23-18)24(14-19-22-10-11-27-19)13-15-6-2-1-3-7-15/h1-11,18H,12-14H2,(H,23,26)/t18-/m0/s1
InChIKeyFQMXXIRBRYOZNZ-SFHVURJKSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-but-2-ynoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 42277782
N-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 50960994
3-phenacyl-2,3-dihydroisoindol-1-one
CID 10857928
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 46966595
N-benzyl-2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 77094415
N-methyl-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 95147643
N-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanecarboxamide
CID 42780816
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559
2-methoxy-N-[(3-phenylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 4662287
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 124757117

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 95140328) is N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C1N[C@@H](CC(=O)N(Cc2ccccc2)Cc2nccs2)c2ccccc21.
What is the InChIKey of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is FQMXXIRBRYOZNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(12-18-16-8-4-5-9-17(16)21(26)23-18)24(14-19-22-10-11-27-19)13-15-6-2-1-3-7-15/h1-11,18H,12-14H2,(H,23,26)/t18-/m0/s1.
What are the key properties of N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 95140328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).