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

C22H17F3N2O3S — CID 11532409

IUPAC2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C22H17F3N2O3S/c1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyVLKCGPPENTVDTN-UHFFFAOYSA-N
MW446.45 g/mol
LogP5.60
Rot. Bonds6

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

2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid (PubChem CID 11532409) has the molecular formula C22H17F3N2O3S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid
PubChem CID11532409
Molecular FormulaC22H17F3N2O3S
Molecular Weight446.45 g/mol
Exact Mass446.09
IUPAC Name2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OCC(=O)O)ccc21
InChIInChI=1S/C22H17F3N2O3S/c1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29/h2-10H,11-12H2,1H3,(H,28,29)
InChIKeyVLKCGPPENTVDTN-UHFFFAOYSA-N
XLogP5.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-{5-phenoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9847444
2-{5-methoxy-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9866031
2-[5-(benzyloxy)-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl]acetic acid
CID 9913118
1-(Thiazol-2-yl)benzyl-3-[5-(pyridine-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic Acid
CID 16224046
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-(4-methylthiazol-2-yl)benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 44474263
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
2-(5-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-1-(methoxymethyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 44444624
2-[5-Methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
CID 162647441
2-[5-[[2-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methoxy]indol-1-yl]acetic acid
CID 9982862

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid?
The IUPAC name of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid (CID 11532409) is 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(OCC(=O)O)ccc21.
What is the InChIKey of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid?
The InChIKey is VLKCGPPENTVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3S/c1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)11-27-9-8-15-10-17(6-7-18(15)27)30-12-20(28)29/h2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid?
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid has a molecular weight of 446.45 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]oxyacetic acid is sourced from PubChem (CID 11532409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).