ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C17H15N3O5S — CID 1147803

IUPACethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C17H15N3O5S/c1-2-25-14(22)7-10-9-26-17(18-10)19-13(21)8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6,9H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyORKAGAOGHWWOAW-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.48
Rot. Bonds6

About ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1147803) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1147803
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Nameethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C17H15N3O5S/c1-2-25-14(22)7-10-9-26-17(18-10)19-13(21)8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6,9H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyORKAGAOGHWWOAW-UHFFFAOYSA-N
XLogP1.48
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]carbamoyl}amino)-1,3-thiazol-4-YL]acetate
CID 20924581
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
CID 1072709
ethyl (2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 1180862
ethyl (2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 1556129
ethyl 2-(2-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetamido)thiazol-4-yl)acetate
CID 2972885
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180197
{2-[3-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 1591160
ethyl (2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2229216
{2-[6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3151882
N''-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}guanidine
CID 3387618

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1147803) is ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ORKAGAOGHWWOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-2-25-14(22)7-10-9-26-17(18-10)19-13(21)8-20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6,9H,2,7-8H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 373.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1147803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).