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

C18H14N4O4S2 — CID 135489535

IUPACethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)n1
InChIInChI=1S/C18H14N4O4S2/c1-2-26-12(23)7-9-8-27-17(19-9)22-18-21-16(25)14(28-18)13-10-5-3-4-6-11(10)20-15(13)24/h3-6,8,25H,2,7H2,1H3,(H,19,21,22)
InChIKeyDDUQAFPVVCBLJI-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.51
Rot. Bonds6

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

ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 135489535) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID135489535
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC Nameethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)n1
InChIInChI=1S/C18H14N4O4S2/c1-2-26-12(23)7-9-8-27-17(19-9)22-18-21-16(25)14(28-18)13-10-5-3-4-6-11(10)20-15(13)24/h3-6,8,25H,2,7H2,1H3,(H,19,21,22)
InChIKeyDDUQAFPVVCBLJI-UHFFFAOYSA-N
XLogP1.51
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (CID 135489535) is ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4ccccc4=NC3=O)s2)n1.
What is the InChIKey of ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DDUQAFPVVCBLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-2-26-12(23)7-9-8-27-17(19-9)22-18-21-16(25)14(28-18)13-10-5-3-4-6-11(10)20-15(13)24/h3-6,8,25H,2,7H2,1H3,(H,19,21,22).
What are the key properties of ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 414.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 135489535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).