3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one

C127H86F18N26O17S6 — CID 160629950

IUPAC3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one
SMILESCC1=NCC(c2nnc(CCC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)=C1.CCOc1ncccc1-c1nnc(CCC(=O)c2cc(C(=O)c3c(F)cc(F)cc3F)c[nH]2)s1.COc1cc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)ccn1.COc1ccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)cn1.COc1cccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)n1.O=C(CCc1nnc(-c2ccco2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1
InChIInChI=1S/C23H17F3N4O3S.3C21H14F3N5O3S.C21H15F3N4O2S.C20H12F3N3O3S/c1-2-33-22-14(4-3-7-27-22)23-30-29-19(34-23)6-5-18(31)17-8-12(11-28-17)21(32)20-15(25)9-13(24)10-16(20)26;1-32-16-3-2-10(7-26-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-25-15)19(30)18-13(23)5-12(22)6-14(18)24;1-32-16-5-10(2-3-25-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-26-15)19(30)18-13(23)6-12(22)7-14(18)24;1-32-16-4-2-3-14(27-16)21-29-28-17(33-21)9-26-20(31)15-5-10(8-25-15)19(30)18-12(23)6-11(22)7-13(18)24;1-10-4-12(9-25-10)21-28-27-18(31-21)3-2-17(29)16-5-11(8-26-16)20(30)19-14(23)6-13(22)7-15(19)24;21-11-7-12(22)18(13(23)8-11)19(28)10-6-14(24-9-10)15(27)3-4-17-25-26-20(30-17)16-2-1-5-29-16/h3-4,7-11,28H,2,5-6H2,1H3;2-8,25H,9H2,1H3,(H,27,31);2-8,26H,9H2,1H3,(H,27,31);2-8,25H,9H2,1H3,(H,26,31);4-8,26H,2-3,9H2,1H3;1-2,5-9,24H,3-4H2
InChIKeyRHUGQENUDRQMKE-UHFFFAOYSA-N
MW2782.62 g/mol
LogP24.11
Rot. Bonds44

About 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one

3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one (PubChem CID 160629950) has the molecular formula C127H86F18N26O17S6 and a molecular weight of 2782.62 g/mol. Its IUPAC name is 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one
PubChem CID160629950
Molecular FormulaC127H86F18N26O17S6
Molecular Weight2782.62 g/mol
Exact Mass2780.47
IUPAC Name3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one
SMILESCC1=NCC(c2nnc(CCC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)=C1.CCOc1ncccc1-c1nnc(CCC(=O)c2cc(C(=O)c3c(F)cc(F)cc3F)c[nH]2)s1.COc1cc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)ccn1.COc1ccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)cn1.COc1cccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)n1.O=C(CCc1nnc(-c2ccco2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1
InChIInChI=1S/C23H17F3N4O3S.3C21H14F3N5O3S.C21H15F3N4O2S.C20H12F3N3O3S/c1-2-33-22-14(4-3-7-27-22)23-30-29-19(34-23)6-5-18(31)17-8-12(11-28-17)21(32)20-15(25)9-13(24)10-16(20)26;1-32-16-3-2-10(7-26-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-25-15)19(30)18-13(23)5-12(22)6-14(18)24;1-32-16-5-10(2-3-25-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-26-15)19(30)18-13(23)6-12(22)7-14(18)24;1-32-16-4-2-3-14(27-16)21-29-28-17(33-21)9-26-20(31)15-5-10(8-25-15)19(30)18-12(23)6-11(22)7-13(18)24;1-10-4-12(9-25-10)21-28-27-18(31-21)3-2-17(29)16-5-11(8-26-16)20(30)19-14(23)6-13(22)7-15(19)24;21-11-7-12(22)18(13(23)8-11)19(28)10-6-14(24-9-10)15(27)3-4-17-25-26-20(30-17)16-2-1-5-29-16/h3-4,7-11,28H,2,5-6H2,1H3;2-8,25H,9H2,1H3,(H,27,31);2-8,26H,9H2,1H3,(H,27,31);2-8,25H,9H2,1H3,(H,26,31);4-8,26H,2-3,9H2,1H3;1-2,5-9,24H,3-4H2
InChIKeyRHUGQENUDRQMKE-UHFFFAOYSA-N
XLogP24.11
TPSA604.33 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002782.62
LogP ≤ 524.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one?
The IUPAC name of 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one (CID 160629950) is 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one is CC1=NCC(c2nnc(CCC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)=C1.CCOc1ncccc1-c1nnc(CCC(=O)c2cc(C(=O)c3c(F)cc(F)cc3F)c[nH]2)s1.COc1cc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)ccn1.COc1ccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)cn1.COc1cccc(-c2nnc(CNC(=O)c3cc(C(=O)c4c(F)cc(F)cc4F)c[nH]3)s2)n1.O=C(CCc1nnc(-c2ccco2)s1)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1.
What is the InChIKey of 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one?
The InChIKey is RHUGQENUDRQMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S.3C21H14F3N5O3S.C21H15F3N4O2S.C20H12F3N3O3S/c1-2-33-22-14(4-3-7-27-22)23-30-29-19(34-23)6-5-18(31)17-8-12(11-28-17)21(32)20-15(25)9-13(24)10-16(20)26;1-32-16-3-2-10(7-26-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-25-15)19(30)18-13(23)5-12(22)6-14(18)24;1-32-16-5-10(2-3-25-16)21-29-28-17(33-21)9-27-20(31)15-4-11(8-26-15)19(30)18-13(23)6-12(22)7-14(18)24;1-32-16-4-2-3-14(27-16)21-29-28-17(33-21)9-26-20(31)15-5-10(8-25-15)19(30)18-12(23)6-11(22)7-13(18)24;1-10-4-12(9-25-10)21-28-27-18(31-21)3-2-17(29)16-5-11(8-26-16)20(30)19-14(23)6-13(22)7-15(19)24;21-11-7-12(22)18(13(23)8-11)19(28)10-6-14(24-9-10)15(27)3-4-17-25-26-20(30-17)16-2-1-5-29-16/h3-4,7-11,28H,2,5-6H2,1H3;2-8,25H,9H2,1H3,(H,27,31);2-8,26H,9H2,1H3,(H,27,31);2-8,25H,9H2,1H3,(H,26,31);4-8,26H,2-3,9H2,1H3;1-2,5-9,24H,3-4H2.
What are the key properties of 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one?
3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one has a molecular weight of 2782.62 g/mol, XLogP of 24.11, 44 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one;N-[[5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-2-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;N-[[5-(6-methoxy-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]-4-(2,4,6-trifluorobenzoyl)-1H-pyrrole-2-carboxamide;3-[5-(5-methyl-2H-pyrrol-3-yl)-1,3,4-thiadiazol-2-yl]-1-[4-(2,4,6-trifluorobenzoyl)-1H-pyrrol-2-yl]propan-1-one is sourced from PubChem (CID 160629950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).