2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide

C19H16N4O2S — CID 139015179

IUPAC2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C19H16N4O2S/c24-17(9-15-13-3-1-2-4-14(13)19(25)23-15)21-10-18-22-16(11-26-18)12-5-7-20-8-6-12/h1-8,11,15H,9-10H2,(H,21,24)(H,23,25)
InChIKeyLVRIXPZTFGUCMU-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 139015179) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID139015179
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CC1NC(=O)c2ccccc21)NCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C19H16N4O2S/c24-17(9-15-13-3-1-2-4-14(13)19(25)23-15)21-10-18-22-16(11-26-18)12-5-7-20-8-6-12/h1-8,11,15H,9-10H2,(H,21,24)(H,23,25)
InChIKeyLVRIXPZTFGUCMU-UHFFFAOYSA-N
XLogP2.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56742276
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42163523
N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95134592
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 110238841
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356808
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 139015179) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide is O=C(CC1NC(=O)c2ccccc21)NCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is LVRIXPZTFGUCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-17(9-15-13-3-1-2-4-14(13)19(25)23-15)21-10-18-22-16(11-26-18)12-5-7-20-8-6-12/h1-8,11,15H,9-10H2,(H,21,24)(H,23,25).
What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide?
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 139015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).