2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H10IN3O2S — CID 174993297

IUPAC2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1Cc2ccc(I)cc2C1=O)Nc1nccs1
InChIInChI=1S/C13H10IN3O2S/c14-9-2-1-8-6-17(12(19)10(8)5-9)7-11(18)16-13-15-3-4-20-13/h1-5H,6-7H2,(H,15,16,18)
InChIKeyMLDAWSSSHJILLG-UHFFFAOYSA-N
MW399.21 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 174993297) has the molecular formula C13H10IN3O2S and a molecular weight of 399.21 g/mol. Its IUPAC name is 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID174993297
Molecular FormulaC13H10IN3O2S
Molecular Weight399.21 g/mol
Exact Mass398.95
IUPAC Name2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1Cc2ccc(I)cc2C1=O)Nc1nccs1
InChIInChI=1S/C13H10IN3O2S/c14-9-2-1-8-6-17(12(19)10(8)5-9)7-11(18)16-13-15-3-4-20-13/h1-5H,6-7H2,(H,15,16,18)
InChIKeyMLDAWSSSHJILLG-UHFFFAOYSA-N
XLogP2.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-fluoro-3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;hydrochloride
CID 175756556
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1382338
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294
3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 46278131
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
2-(benzotriazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 854633
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 52901513
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 174993297) is 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1Cc2ccc(I)cc2C1=O)Nc1nccs1.
What is the InChIKey of 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MLDAWSSSHJILLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O2S/c14-9-2-1-8-6-17(12(19)10(8)5-9)7-11(18)16-13-15-3-4-20-13/h1-5H,6-7H2,(H,15,16,18).
What are the key properties of 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 174993297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).