2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid

C222H169F35N20O32S18 — CID 158520322

IUPAC2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C
InChIInChI=1S/C23H18F4N2O4S.C23H19F3N2O4S.C22H16F4N2O4S.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O4S.2C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-17(6-5-16-21(11)33-19(29-16)7-8-20(30)31)32-10-18-12(2)28-22(34-18)13-3-4-14(15(24)9-13)23(25,26)27;1-12-17(8-7-16-21(12)32-19(28-16)9-10-20(29)30)31-11-18-13(2)27-22(33-18)14-3-5-15(6-4-14)23(24,25)26;1-10-16(6-5-15-20(10)32-18(28-15)8-19(29)30)31-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;1-10-16(6-5-15-20(10)31-18(28-15)8-19(29)30)32-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;2*1-10-16(6-5-15-20(10)33-18(28-15)8-19(29)30)31-9-17-11(2)27-21(32-17)12-3-4-13(14(23)7-12)22(24,25)26;1-11-16(8-7-15-20(11)31-18(27-15)9-19(28)29)30-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;1-11-16(8-7-15-20(11)30-18(27-15)9-19(28)29)31-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;2*1-11-16(8-7-15-20(11)32-18(27-15)9-19(28)29)30-10-17-12(2)26-21(31-17)13-3-5-14(6-4-13)22(23,24)25/h3-6,9H,7-8,10H2,1-2H3,(H,30,31);3-8H,9-11H2,1-2H3,(H,29,30);4*3-7H,8-9H2,1-2H3,(H,29,30);4*3-8H,9-10H2,1-2H3,(H,28,29)
InChIKeyHMDGDSPOCIKXGK-UHFFFAOYSA-N
MW4871.04 g/mol
LogP64.13
Rot. Bonds62

About 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid

2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid (PubChem CID 158520322) has the molecular formula C222H169F35N20O32S18 and a molecular weight of 4871.04 g/mol. Its IUPAC name is 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid
PubChem CID158520322
Molecular FormulaC222H169F35N20O32S18
Molecular Weight4871.04 g/mol
Exact Mass4866.66
IUPAC Name2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C
InChIInChI=1S/C23H18F4N2O4S.C23H19F3N2O4S.C22H16F4N2O4S.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O4S.2C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-17(6-5-16-21(11)33-19(29-16)7-8-20(30)31)32-10-18-12(2)28-22(34-18)13-3-4-14(15(24)9-13)23(25,26)27;1-12-17(8-7-16-21(12)32-19(28-16)9-10-20(29)30)31-11-18-13(2)27-22(33-18)14-3-5-15(6-4-14)23(24,25)26;1-10-16(6-5-15-20(10)32-18(28-15)8-19(29)30)31-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;1-10-16(6-5-15-20(10)31-18(28-15)8-19(29)30)32-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;2*1-10-16(6-5-15-20(10)33-18(28-15)8-19(29)30)31-9-17-11(2)27-21(32-17)12-3-4-13(14(23)7-12)22(24,25)26;1-11-16(8-7-15-20(11)31-18(27-15)9-19(28)29)30-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;1-11-16(8-7-15-20(11)30-18(27-15)9-19(28)29)31-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;2*1-11-16(8-7-15-20(11)32-18(27-15)9-19(28)29)30-10-17-12(2)26-21(31-17)13-3-5-14(6-4-13)22(23,24)25/h3-6,9H,7-8,10H2,1-2H3,(H,30,31);3-8H,9-11H2,1-2H3,(H,29,30);4*3-7H,8-9H2,1-2H3,(H,29,30);4*3-8H,9-10H2,1-2H3,(H,28,29)
InChIKeyHMDGDSPOCIKXGK-UHFFFAOYSA-N
XLogP64.13
TPSA765.02 Ų
H-Bond Donors10
H-Bond Acceptors60
Rotatable Bonds62
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004871.04
LogP ≤ 564.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1060

Analyze 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid?
The IUPAC name of 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid (CID 158520322) is 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)c(F)c2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CC(=O)O)sc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2nc(CCC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)oc2c1C.Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc2nc(CC(=O)O)sc2c1C.
What is the InChIKey of 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid?
The InChIKey is HMDGDSPOCIKXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O4S.C23H19F3N2O4S.C22H16F4N2O4S.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O4S.2C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-17(6-5-16-21(11)33-19(29-16)7-8-20(30)31)32-10-18-12(2)28-22(34-18)13-3-4-14(15(24)9-13)23(25,26)27;1-12-17(8-7-16-21(12)32-19(28-16)9-10-20(29)30)31-11-18-13(2)27-22(33-18)14-3-5-15(6-4-14)23(24,25)26;1-10-16(6-5-15-20(10)32-18(28-15)8-19(29)30)31-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;1-10-16(6-5-15-20(10)31-18(28-15)8-19(29)30)32-9-17-11(2)27-21(33-17)12-3-4-13(14(23)7-12)22(24,25)26;2*1-10-16(6-5-15-20(10)33-18(28-15)8-19(29)30)31-9-17-11(2)27-21(32-17)12-3-4-13(14(23)7-12)22(24,25)26;1-11-16(8-7-15-20(11)31-18(27-15)9-19(28)29)30-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;1-11-16(8-7-15-20(11)30-18(27-15)9-19(28)29)31-10-17-12(2)26-21(32-17)13-3-5-14(6-4-13)22(23,24)25;2*1-11-16(8-7-15-20(11)32-18(27-15)9-19(28)29)30-10-17-12(2)26-21(31-17)13-3-5-14(6-4-13)22(23,24)25/h3-6,9H,7-8,10H2,1-2H3,(H,30,31);3-8H,9-11H2,1-2H3,(H,29,30);4*3-7H,8-9H2,1-2H3,(H,29,30);4*3-8H,9-10H2,1-2H3,(H,28,29).
What are the key properties of 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid?
2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid has a molecular weight of 4871.04 g/mol, XLogP of 64.13, 62 rotatable bonds, 10 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-7-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[6-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-7-methyl-1,3-benzoxazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]acetic acid;3-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;2-[7-methyl-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]acetic acid is sourced from PubChem (CID 158520322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).