2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid

C176H136F24N16O20S12 — CID 159785075

IUPAC2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(=O)O.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/4C22H17F3N2O3S.4C22H17F3N2O2S2/c1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);3*2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2*2-10H,11-12H2,1H3,(H,28,29)
InChIKeyNHVQGNLCZXMIFV-UHFFFAOYSA-N
MW3635.87 g/mol
LogP49.04
Rot. Bonds48

About 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid

2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid (PubChem CID 159785075) has the molecular formula C176H136F24N16O20S12 and a molecular weight of 3635.87 g/mol. Its IUPAC name is 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
PubChem CID159785075
Molecular FormulaC176H136F24N16O20S12
Molecular Weight3635.87 g/mol
Exact Mass3632.64
IUPAC Name2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(=O)O.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1cccc2c1ccn2CC(=O)O
InChIInChI=1S/4C22H17F3N2O3S.4C22H17F3N2O2S2/c1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);3*2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2*2-10H,11-12H2,1H3,(H,28,29)
InChIKeyNHVQGNLCZXMIFV-UHFFFAOYSA-N
XLogP49.04
TPSA499.60 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003635.87
LogP ≤ 549.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid (CID 159785075) is 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(=O)O.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2[nH]cc(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2c(ccn2CC(=O)O)c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2ccn(CC(=O)O)c2c1.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1cccc2c1ccn2CC(=O)O.
What is the InChIKey of 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
The InChIKey is NHVQGNLCZXMIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H17F3N2O3S.4C22H17F3N2O2S2/c1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29;1-13-19(31-21(26-13)15-2-5-16(6-3-15)22(23,24)25)12-30-17-7-4-14-8-9-27(11-20(28)29)18(14)10-17;1-12-19(31-21(27-12)13-2-4-15(5-3-13)22(23,24)25)11-30-16-6-7-18-17(9-16)14(10-26-18)8-20(28)29;1-13-19(31-21(26-13)14-2-4-16(5-3-14)22(23,24)25)12-30-17-6-7-18-15(10-17)8-9-27(18)11-20(28)29;1-13-19(31-21(26-13)14-5-7-15(8-6-14)22(23,24)25)12-30-18-4-2-3-17-16(18)9-10-27(17)11-20(28)29/h2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);3*2-10H,11-12H2,1H3,(H,28,29);2-7,9-10,26H,8,11H2,1H3,(H,28,29);2*2-10H,11-12H2,1H3,(H,28,29).
What are the key properties of 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid?
2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid has a molecular weight of 3635.87 g/mol, XLogP of 49.04, 48 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid;2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid;2-[5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1H-indol-3-yl]acetic acid;2-[6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]indol-1-yl]acetic acid is sourced from PubChem (CID 159785075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).