ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H14N4O4S2 — CID 155539519

IUPACethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)nc1C
InChIInChI=1S/C18H14N4O4S2/c1-3-26-16(25)12-8(2)19-17(27-12)22-18-21-15(24)13(28-18)11-9-6-4-5-7-10(9)20-14(11)23/h4-7,24H,3H2,1-2H3,(H,19,21,22)
InChIKeyHFVFUIMJVXPEDD-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 155539519) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID155539519
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC Nameethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)nc1C
InChIInChI=1S/C18H14N4O4S2/c1-3-26-16(25)12-8(2)19-17(27-12)22-18-21-15(24)13(28-18)11-9-6-4-5-7-10(9)20-14(11)23/h4-7,24H,3H2,1-2H3,(H,19,21,22)
InChIKeyHFVFUIMJVXPEDD-UHFFFAOYSA-N
XLogP1.89
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 155539519) is ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)nc1C.
What is the InChIKey of ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HFVFUIMJVXPEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-3-26-16(25)12-8(2)19-17(27-12)22-18-21-15(24)13(28-18)11-9-6-4-5-7-10(9)20-14(11)23/h4-7,24H,3H2,1-2H3,(H,19,21,22).
What are the key properties of ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 414.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155539519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).