2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

C164H136Cl12F24N48O20S9 — CID 158631985

IUPAC2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCOCCN1CCN(c2cc(C(=O)C[C@H](C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CNc1ncnc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.C[C@@H](CC(=O)c1cc(-n2ccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCS(=O)(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ncnc(C(=O)C[C@@H](C)c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)c1Cl
InChIInChI=1S/C26H29ClF3N7O3S.C22H20ClF3N6O4S2.C21H15ClF3N7O2S.C20H15Cl2F3N4O2S.C20H16ClF3N6O3S.C19H15Cl2F3N6O2S.2C18H13Cl2F3N6O2S/c1-3-40-9-8-36-4-6-37(7-5-36)23-12-19(33-15-34-23)20(38)10-16(2)25-32-14-21(41-25)24(39)35-22-11-17(26(28,29)30)18(27)13-31-22;1-12(6-16(33)15-8-19(30-11-29-15)32-2-4-38(35,36)5-3-32)21-28-10-17(37-21)20(34)31-18-7-13(22(24,25)26)14(23)9-27-18;1-11(4-15(33)14-6-18(30-9-29-14)32-3-2-26-10-32)20-28-8-16(35-20)19(34)31-17-5-12(21(23,24)25)13(22)7-27-17;1-9(5-14(30)17-16(22)10(2)27-8-28-17)19-26-7-15(32-19)18(31)29-11-3-4-13(21)12(6-11)20(23,24)25;1-9(3-14(32)13-5-17(28-8-27-13)29-10(2)31)19-26-7-15(34-19)18(33)30-16-4-11(20(22,23)24)12(21)6-25-16;1-8(3-11(31)15-14(21)16(25-2)29-7-28-15)18-27-6-12(33-18)17(32)30-13-4-9(19(22,23)24)10(20)5-26-13;2*1-7(2-10(30)14-13(20)15(24)28-6-27-14)17-26-5-11(32-17)16(31)29-12-3-8(18(21,22)23)9(19)4-25-12/h11-16H,3-10H2,1-2H3,(H,31,35,39);7-12H,2-6H2,1H3,(H,27,31,34);2-3,5-11H,4H2,1H3,(H,27,31,34);3-4,6-9H,5H2,1-2H3,(H,29,31);4-9H,3H2,1-2H3,(H,25,30,33)(H,27,28,29,31);4-8H,3H2,1-2H3,(H,25,28,29)(H,26,30,32);2*3-7H,2H2,1H3,(H2,24,27,28)(H,25,29,31)/t16-;12-;11-;9-;;8-;2*7-/m0001.010/s1
InChIKeyHZHQRILKLOAEGW-VORHBRCSSA-N
MW4269.20 g/mol
LogP39.30
Rot. Bonds57

About 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 158631985) has the molecular formula C164H136Cl12F24N48O20S9 and a molecular weight of 4269.20 g/mol. Its IUPAC name is 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID158631985
Molecular FormulaC164H136Cl12F24N48O20S9
Molecular Weight4269.20 g/mol
Exact Mass4260.45
IUPAC Name2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCOCCN1CCN(c2cc(C(=O)C[C@H](C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CNc1ncnc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.C[C@@H](CC(=O)c1cc(-n2ccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCS(=O)(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ncnc(C(=O)C[C@@H](C)c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)c1Cl
InChIInChI=1S/C26H29ClF3N7O3S.C22H20ClF3N6O4S2.C21H15ClF3N7O2S.C20H15Cl2F3N4O2S.C20H16ClF3N6O3S.C19H15Cl2F3N6O2S.2C18H13Cl2F3N6O2S/c1-3-40-9-8-36-4-6-37(7-5-36)23-12-19(33-15-34-23)20(38)10-16(2)25-32-14-21(41-25)24(39)35-22-11-17(26(28,29)30)18(27)13-31-22;1-12(6-16(33)15-8-19(30-11-29-15)32-2-4-38(35,36)5-3-32)21-28-10-17(37-21)20(34)31-18-7-13(22(24,25)26)14(23)9-27-18;1-11(4-15(33)14-6-18(30-9-29-14)32-3-2-26-10-32)20-28-8-16(35-20)19(34)31-17-5-12(21(23,24)25)13(22)7-27-17;1-9(5-14(30)17-16(22)10(2)27-8-28-17)19-26-7-15(32-19)18(31)29-11-3-4-13(21)12(6-11)20(23,24)25;1-9(3-14(32)13-5-17(28-8-27-13)29-10(2)31)19-26-7-15(34-19)18(33)30-16-4-11(20(22,23)24)12(21)6-25-16;1-8(3-11(31)15-14(21)16(25-2)29-7-28-15)18-27-6-12(33-18)17(32)30-13-4-9(19(22,23)24)10(20)5-26-13;2*1-7(2-10(30)14-13(20)15(24)28-6-27-14)17-26-5-11(32-17)16(31)29-12-3-8(18(21,22)23)9(19)4-25-12/h11-16H,3-10H2,1-2H3,(H,31,35,39);7-12H,2-6H2,1H3,(H,27,31,34);2-3,5-11H,4H2,1H3,(H,27,31,34);3-4,6-9H,5H2,1-2H3,(H,29,31);4-9H,3H2,1-2H3,(H,25,30,33)(H,27,28,29,31);4-8H,3H2,1-2H3,(H,25,28,29)(H,26,30,32);2*3-7H,2H2,1H3,(H2,24,27,28)(H,25,29,31)/t16-;12-;11-;9-;;8-;2*7-/m0001.010/s1
InChIKeyHZHQRILKLOAEGW-VORHBRCSSA-N
XLogP39.30
TPSA933.03 Ų
H-Bond Donors12
H-Bond Acceptors67
Rotatable Bonds57
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004269.20
LogP ≤ 539.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1067

Analyze 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 158631985) is 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1cc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCOCCN1CCN(c2cc(C(=O)C[C@H](C)c3ncc(C(=O)Nc4cc(C(F)(F)F)c(Cl)cn4)s3)ncn2)CC1.CNc1ncnc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.C[C@@H](CC(=O)c1cc(-n2ccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(N2CCS(=O)(=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.Cc1ncnc(C(=O)C[C@@H](C)c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)c1Cl.
What is the InChIKey of 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HZHQRILKLOAEGW-VORHBRCSSA-N. The full InChI is InChI=1S/C26H29ClF3N7O3S.C22H20ClF3N6O4S2.C21H15ClF3N7O2S.C20H15Cl2F3N4O2S.C20H16ClF3N6O3S.C19H15Cl2F3N6O2S.2C18H13Cl2F3N6O2S/c1-3-40-9-8-36-4-6-37(7-5-36)23-12-19(33-15-34-23)20(38)10-16(2)25-32-14-21(41-25)24(39)35-22-11-17(26(28,29)30)18(27)13-31-22;1-12(6-16(33)15-8-19(30-11-29-15)32-2-4-38(35,36)5-3-32)21-28-10-17(37-21)20(34)31-18-7-13(22(24,25)26)14(23)9-27-18;1-11(4-15(33)14-6-18(30-9-29-14)32-3-2-26-10-32)20-28-8-16(35-20)19(34)31-17-5-12(21(23,24)25)13(22)7-27-17;1-9(5-14(30)17-16(22)10(2)27-8-28-17)19-26-7-15(32-19)18(31)29-11-3-4-13(21)12(6-11)20(23,24)25;1-9(3-14(32)13-5-17(28-8-27-13)29-10(2)31)19-26-7-15(34-19)18(33)30-16-4-11(20(22,23)24)12(21)6-25-16;1-8(3-11(31)15-14(21)16(25-2)29-7-28-15)18-27-6-12(33-18)17(32)30-13-4-9(19(22,23)24)10(20)5-26-13;2*1-7(2-10(30)14-13(20)15(24)28-6-27-14)17-26-5-11(32-17)16(31)29-12-3-8(18(21,22)23)9(19)4-25-12/h11-16H,3-10H2,1-2H3,(H,31,35,39);7-12H,2-6H2,1H3,(H,27,31,34);2-3,5-11H,4H2,1H3,(H,27,31,34);3-4,6-9H,5H2,1-2H3,(H,29,31);4-9H,3H2,1-2H3,(H,25,30,33)(H,27,28,29,31);4-8H,3H2,1-2H3,(H,25,28,29)(H,26,30,32);2*3-7H,2H2,1H3,(H2,24,27,28)(H,25,29,31)/t16-;12-;11-;9-;;8-;2*7-/m0001.010/s1.
What are the key properties of 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 4269.20 g/mol, XLogP of 39.30, 57 rotatable bonds, 12 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetamidopyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(methylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2R)-4-(5-chloro-6-methylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-(6-imidazol-1-ylpyrimidin-4-yl)-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158631985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).