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

C202H156F32N18O27S18 — CID 157458095

IUPAC2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid
SMILESCc1cc2oc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C23H18F4N2O4S.C23H18F4N2O3S2.C23H19F3N2O4S.C23H19F3N2O3S2.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-7-18-16(29-20(33-18)5-6-21(30)31)9-17(11)32-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-11-7-17-16(29-20(32-17)5-6-21(30)31)9-18(11)33-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-12-9-18-16(28-20(32-18)7-8-21(29)30)10-17(12)31-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-12-9-17-16(28-20(31-17)7-8-21(29)30)10-18(12)32-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-16-15(28-19(31-16)8-20(29)30)7-17(10)32-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;2*1-11-7-17-15(27-19(31-17)9-20(28)29)8-16(11)30-10-18-12(2)26-21(32-18)13-3-5-14(6-4-13)22(23,24)25/h2*3-4,7-9H,5-6,10H2,1-2H3,(H,30,31);2*3-6,9-10H,7-8,11H2,1-2H3,(H,29,30);3*3-7H,8-9H2,1-2H3,(H,29,30);2*3-8H,9-10H2,1-2H3,(H,28,29)
InChIKeyBTPFVPQBNYEALG-UHFFFAOYSA-N
MW4452.71 g/mol
LogP59.83
Rot. Bonds58

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

2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid (PubChem CID 157458095) has the molecular formula C202H156F32N18O27S18 and a molecular weight of 4452.71 g/mol. Its IUPAC name is 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid
PubChem CID157458095
Molecular FormulaC202H156F32N18O27S18
Molecular Weight4452.71 g/mol
Exact Mass4448.58
IUPAC Name2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid
SMILESCc1cc2oc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C23H18F4N2O4S.C23H18F4N2O3S2.C23H19F3N2O4S.C23H19F3N2O3S2.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-7-18-16(29-20(33-18)5-6-21(30)31)9-17(11)32-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-11-7-17-16(29-20(32-17)5-6-21(30)31)9-18(11)33-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-12-9-18-16(28-20(32-18)7-8-21(29)30)10-17(12)31-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-12-9-17-16(28-20(31-17)7-8-21(29)30)10-18(12)32-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-16-15(28-19(31-16)8-20(29)30)7-17(10)32-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;2*1-11-7-17-15(27-19(31-17)9-20(28)29)8-16(11)30-10-18-12(2)26-21(32-18)13-3-5-14(6-4-13)22(23,24)25/h2*3-4,7-9H,5-6,10H2,1-2H3,(H,30,31);2*3-6,9-10H,7-8,11H2,1-2H3,(H,29,30);3*3-7H,8-9H2,1-2H3,(H,29,30);2*3-8H,9-10H2,1-2H3,(H,28,29)
InChIKeyBTPFVPQBNYEALG-UHFFFAOYSA-N
XLogP59.83
TPSA670.34 Ų
H-Bond Donors9
H-Bond Acceptors54
Rotatable Bonds58
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004452.71
LogP ≤ 559.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1054

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid?
The IUPAC name of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid (CID 157458095) is 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid is Cc1cc2oc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2oc(CCC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1OCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1C.Cc1cc2sc(CC(=O)O)nc2cc1SCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid?
The InChIKey is BTPFVPQBNYEALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O4S.C23H18F4N2O3S2.C23H19F3N2O4S.C23H19F3N2O3S2.2C22H16F4N2O3S2.C22H16F4N2O2S3.C22H17F3N2O3S2.C22H17F3N2O2S3/c1-11-7-18-16(29-20(33-18)5-6-21(30)31)9-17(11)32-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-11-7-17-16(29-20(32-17)5-6-21(30)31)9-18(11)33-10-19-12(2)28-22(34-19)13-3-4-14(15(24)8-13)23(25,26)27;1-12-9-18-16(28-20(32-18)7-8-21(29)30)10-17(12)31-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-12-9-17-16(28-20(31-17)7-8-21(29)30)10-18(12)32-11-19-13(2)27-22(33-19)14-3-5-15(6-4-14)23(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-16-15(28-19(31-16)8-20(29)30)7-17(10)32-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;1-10-5-17-15(28-19(32-17)8-20(29)30)7-16(10)31-9-18-11(2)27-21(33-18)12-3-4-13(14(23)6-12)22(24,25)26;2*1-11-7-17-15(27-19(31-17)9-20(28)29)8-16(11)30-10-18-12(2)26-21(32-18)13-3-5-14(6-4-13)22(23,24)25/h2*3-4,7-9H,5-6,10H2,1-2H3,(H,30,31);2*3-6,9-10H,7-8,11H2,1-2H3,(H,29,30);3*3-7H,8-9H2,1-2H3,(H,29,30);2*3-8H,9-10H2,1-2H3,(H,28,29).
What are the key properties of 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid?
2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid has a molecular weight of 4452.71 g/mol, XLogP of 59.83, 58 rotatable bonds, 9 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzothiazol-2-yl]acetic acid;2-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]acetic acid;3-[5-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-6-methyl-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-1,3-benzoxazol-2-yl]propanoic acid;2-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzothiazol-2-yl]acetic acid;3-[6-methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1,3-benzoxazol-2-yl]propanoic acid is sourced from PubChem (CID 157458095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).