ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C19H19N3O7S — CID 138500548

IUPACethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(O)CN2C(=O)C(=O)c3ccccc32)nc1C
InChIInChI=1S/C19H19N3O7S/c1-3-28-18(27)16-10(2)20-19(30-16)21-13(23)9-29-14(24)8-22-12-7-5-4-6-11(12)15(25)17(22)26/h4-7,14,24H,3,8-9H2,1-2H3,(H,20,21,23)
InChIKeyDMCNOQGGOJNTTR-UHFFFAOYSA-N
MW433.44 g/mol
LogP1.13
Rot. Bonds8

About ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 138500548) has the molecular formula C19H19N3O7S and a molecular weight of 433.44 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID138500548
Molecular FormulaC19H19N3O7S
Molecular Weight433.44 g/mol
Exact Mass433.09
IUPAC Nameethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COC(O)CN2C(=O)C(=O)c3ccccc32)nc1C
InChIInChI=1S/C19H19N3O7S/c1-3-28-18(27)16-10(2)20-19(30-16)21-13(23)9-29-14(24)8-22-12-7-5-4-6-11(12)15(25)17(22)26/h4-7,14,24H,3,8-9H2,1-2H3,(H,20,21,23)
InChIKeyDMCNOQGGOJNTTR-UHFFFAOYSA-N
XLogP1.13
TPSA135.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-methylpropyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84572830
methyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84572111
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 6615144
ethyl 2-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41155100
2-methylpropyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3349096
ethyl 4-methyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 23969085
ethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343894
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 2309201
ethyl 4-methyl-2-[[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 7662536
ethyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86955302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 138500548) is ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COC(O)CN2C(=O)C(=O)c3ccccc32)nc1C.
What is the InChIKey of ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is DMCNOQGGOJNTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7S/c1-3-28-18(27)16-10(2)20-19(30-16)21-13(23)9-29-14(24)8-22-12-7-5-4-6-11(12)15(25)17(22)26/h4-7,14,24H,3,8-9H2,1-2H3,(H,20,21,23).
What are the key properties of ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 433.44 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(2,3-dioxoindol-1-yl)-1-hydroxyethoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 138500548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).