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

C19H16N4O4S2 — CID 135446036

IUPACethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4cc(C)ccc4=NC3=O)s2)n1
InChIInChI=1S/C19H16N4O4S2/c1-3-27-13(24)7-10-8-28-18(20-10)23-19-22-17(26)15(29-19)14-11-6-9(2)4-5-12(11)21-16(14)25/h4-6,8,26H,3,7H2,1-2H3,(H,20,22,23)
InChIKeyHFAFGBSKOXBTLV-UHFFFAOYSA-N
MW428.50 g/mol
LogP1.82
Rot. Bonds6

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

ethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 135446036) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is ethyl 2-[2-[[4-hydroxy-5-(5-methyl-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-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID135446036
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Nameethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4cc(C)ccc4=NC3=O)s2)n1
InChIInChI=1S/C19H16N4O4S2/c1-3-27-13(24)7-10-8-28-18(20-10)23-19-22-17(26)15(29-19)14-11-6-9(2)4-5-12(11)21-16(14)25/h4-6,8,26H,3,7H2,1-2H3,(H,20,22,23)
InChIKeyHFAFGBSKOXBTLV-UHFFFAOYSA-N
XLogP1.82
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-hydroxy-5-(5-methyl-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-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate (CID 135446036) is ethyl 2-[2-[[4-hydroxy-5-(5-methyl-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-(5-methyl-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-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2nc(O)c(C3=c4cc(C)ccc4=NC3=O)s2)n1.
What is the InChIKey of ethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HFAFGBSKOXBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-3-27-13(24)7-10-8-28-18(20-10)23-19-22-17(26)15(29-19)14-11-6-9(2)4-5-12(11)21-16(14)25/h4-6,8,26H,3,7H2,1-2H3,(H,20,22,23).
What are the key properties of ethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 428.50 g/mol, XLogP of 1.82, 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-(5-methyl-2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 135446036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).