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

C16H17N3O2S — CID 56742276

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCCc1csc(CNC(=O)CC2NC(=O)c3ccccc32)n1
InChIInChI=1S/C16H17N3O2S/c1-2-10-9-22-15(18-10)8-17-14(20)7-13-11-5-3-4-6-12(11)16(21)19-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,20)(H,19,21)
InChIKeyDNYNCEVIYKQYIV-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.20
Rot. Bonds5

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 56742276) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID56742276
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCCc1csc(CNC(=O)CC2NC(=O)c3ccccc32)n1
InChIInChI=1S/C16H17N3O2S/c1-2-10-9-22-15(18-10)8-17-14(20)7-13-11-5-3-4-6-12(11)16(21)19-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,20)(H,19,21)
InChIKeyDNYNCEVIYKQYIV-UHFFFAOYSA-N
XLogP2.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 139015179
N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95134592
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 40535831
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 97130974
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 71705684
2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]-N-pyridin-4-ylacetamide
CID 96557176
3-[(3-oxo-1,2-dihydroisoindol-1-yl)methyl]-2,3-dihydroisoindol-1-one
CID 164673181
N-[3-(furan-2-yl)propyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 74230715
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 56742276) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is CCc1csc(CNC(=O)CC2NC(=O)c3ccccc32)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is DNYNCEVIYKQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-10-9-22-15(18-10)8-17-14(20)7-13-11-5-3-4-6-12(11)16(21)19-13/h3-6,9,13H,2,7-8H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 56742276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).