2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid

C26H28N2O6S — CID 67242356

IUPAC2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid
SMILESCCOc1nc(-c2ccc(OCCCOc3ccc4[nH]c(CC(=O)O)cc4c3)c(OC)c2)sc1C
InChIInChI=1S/C26H28N2O6S/c1-4-32-25-16(2)35-26(28-25)17-6-9-22(23(14-17)31-3)34-11-5-10-33-20-7-8-21-18(13-20)12-19(27-21)15-24(29)30/h6-9,12-14,27H,4-5,10-11,15H2,1-3H3,(H,29,30)
InChIKeyLDWOXKRBMLMTKC-UHFFFAOYSA-N
MW496.59 g/mol
LogP5.48
Rot. Bonds12

About 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid

2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid (PubChem CID 67242356) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid
PubChem CID67242356
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Name2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid
SMILESCCOc1nc(-c2ccc(OCCCOc3ccc4[nH]c(CC(=O)O)cc4c3)c(OC)c2)sc1C
InChIInChI=1S/C26H28N2O6S/c1-4-32-25-16(2)35-26(28-25)17-6-9-22(23(14-17)31-3)34-11-5-10-33-20-7-8-21-18(13-20)12-19(27-21)15-24(29)30/h6-9,12-14,27H,4-5,10-11,15H2,1-3H3,(H,29,30)
InChIKeyLDWOXKRBMLMTKC-UHFFFAOYSA-N
XLogP5.48
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.59
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid 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 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid?
The IUPAC name of 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid (CID 67242356) is 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid is CCOc1nc(-c2ccc(OCCCOc3ccc4[nH]c(CC(=O)O)cc4c3)c(OC)c2)sc1C.
What is the InChIKey of 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid?
The InChIKey is LDWOXKRBMLMTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-4-32-25-16(2)35-26(28-25)17-6-9-22(23(14-17)31-3)34-11-5-10-33-20-7-8-21-18(13-20)12-19(27-21)15-24(29)30/h6-9,12-14,27H,4-5,10-11,15H2,1-3H3,(H,29,30).
What are the key properties of 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid?
2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid has a molecular weight of 496.59 g/mol, XLogP of 5.48, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-(4-ethoxy-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy]-1H-indol-2-yl]acetic acid is sourced from PubChem (CID 67242356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).