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

C23H19F3N2O3S — CID 58677230

IUPAC2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
SMILESCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C23H19F3N2O3S/c1-13-19(28-22(32-13)14-2-4-16(5-3-14)23(24,25)26)8-9-31-17-6-7-20-18(11-17)15(12-27-20)10-21(29)30/h2-7,11-12,27H,8-10H2,1H3,(H,29,30)
InChIKeySCHYKRVDHWXOKE-UHFFFAOYSA-N
MW460.48 g/mol
LogP5.87
Rot. Bonds7

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

2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid (PubChem CID 58677230) has the molecular formula C23H19F3N2O3S and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
PubChem CID58677230
Molecular FormulaC23H19F3N2O3S
Molecular Weight460.48 g/mol
Exact Mass460.11
IUPAC Name2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid
SMILESCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C23H19F3N2O3S/c1-13-19(28-22(32-13)14-2-4-16(5-3-14)23(24,25)26)8-9-31-17-6-7-20-18(11-17)15(12-27-20)10-21(29)30/h2-7,11-12,27H,8-10H2,1H3,(H,29,30)
InChIKeySCHYKRVDHWXOKE-UHFFFAOYSA-N
XLogP5.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.48
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-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

Related Compounds

5-Benzyloxyindole-3-acetic acid
CID 96340
3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4-(thiazol-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 16223655
3-[3-Tert-butylsulfanyl-1-[[4-(2-ethoxy-1,3-thiazol-4-yl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid
CID 16226489
1-(Thiazol-2-yl)benzyl-3-[5-(pyridine-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic Acid
CID 16224046
1-(Thiazol-2-yl)benzyl-3-[3-(3,3-dimethylbut-1-yl)-5-(pyridine-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic Acid
CID 16224051
3-(3-(tert-butylthio)-1-(4-(5-methylthiazol-2-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 16224457
3-(3-(tert-butylthio)-1-(4-(5-fluorothiazol-2-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 16224844
3-(3-(tert-butylthio)-1-(4-(2-methoxythiazol-4-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 16225463
3-(3-(tert-butylthio)-1-(4-(4-methylthiazol-2-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 44474263
3-[3-tert-butylsulfanyl-5-(1H-indol-2-ylmethoxy)-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
CID 56849842
2-(5-((4-methyl-2-(trifluoromethyl)thiazol-5-yl)methoxy)-1H-indol-1-yl)acetic acid
CID 44432407
2-(5-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyphenyl)-thiazol-2-yl)methoxy)-1H-indol-1-yl)acetic Acid
CID 44627735

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid (CID 58677230) is 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid is Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2[nH]cc(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid?
The InChIKey is SCHYKRVDHWXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3S/c1-13-19(28-22(32-13)14-2-4-16(5-3-14)23(24,25)26)8-9-31-17-6-7-20-18(11-17)15(12-27-20)10-21(29)30/h2-7,11-12,27H,8-10H2,1H3,(H,29,30).
What are the key properties of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid?
2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid has a molecular weight of 460.48 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 58677230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).