2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

C136H114Cl6F18N34O18S6 — CID 158516167

IUPAC2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(C(=O)CCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](CC(=O)c1cc(C(=O)CC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(=O)CC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C26H20ClF3N6O3S.C25H24ClF3N6O3S.C23H20ClF3N6O3S.C22H19ClF3N5O3S.C21H17ClF3N5O3S.C19H14ClF3N6O3S/c1-14(7-21(38)19-9-18(34-13-35-19)20(37)5-4-15-3-2-6-31-10-15)25-33-12-22(40-25)24(39)36-23-8-16(26(28,29)30)17(27)11-32-23;1-13(6-19(36)17-9-18(34-12-33-17)20(37)7-14-2-4-30-5-3-14)24-32-11-21(39-24)23(38)35-22-8-15(25(27,28)29)16(26)10-31-22;1-11(2-17(34)15-5-16(32-10-31-15)18(35)3-12-6-28-7-12)22-30-9-19(37-22)21(36)33-20-4-13(23(25,26)27)14(24)8-29-20;1-3-4-16(32)14-7-15(30-10-29-14)17(33)5-11(2)21-28-9-18(35-21)20(34)31-19-6-12(22(24,25)26)13(23)8-27-19;1-3-15(31)13-6-14(29-9-28-13)16(32)4-10(2)20-27-8-17(34-20)19(33)30-18-5-11(21(23,24)25)12(22)7-26-18;1-8(2-13(30)11-4-12(16(24)31)28-7-27-11)18-26-6-14(33-18)17(32)29-15-3-9(19(21,22)23)10(20)5-25-15/h2-3,6,8-14H,4-5,7H2,1H3,(H,32,36,39);8-14,30H,2-7H2,1H3,(H,31,35,38);4-5,8-12,28H,2-3,6-7H2,1H3,(H,29,33,36);6-11H,3-5H2,1-2H3,(H,27,31,34);5-10H,3-4H2,1-2H3,(H,26,30,33);3-8H,2H2,1H3,(H2,24,31)(H,25,29,32)/t;13-;2*11-;10-;8-/m.00000/s1
InChIKeyHLQNYQWODRNOQC-SHSGTBPKSA-N
MW3259.71 g/mol
LogP30.02
Rot. Bonds52

About 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide

2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 158516167) has the molecular formula C136H114Cl6F18N34O18S6 and a molecular weight of 3259.71 g/mol. Its IUPAC name is 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID158516167
Molecular FormulaC136H114Cl6F18N34O18S6
Molecular Weight3259.71 g/mol
Exact Mass3254.52
IUPAC Name2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CC(=O)c1cc(C(=O)CCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](CC(=O)c1cc(C(=O)CC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(=O)CC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InChIInChI=1S/C26H20ClF3N6O3S.C25H24ClF3N6O3S.C23H20ClF3N6O3S.C22H19ClF3N5O3S.C21H17ClF3N5O3S.C19H14ClF3N6O3S/c1-14(7-21(38)19-9-18(34-13-35-19)20(37)5-4-15-3-2-6-31-10-15)25-33-12-22(40-25)24(39)36-23-8-16(26(28,29)30)17(27)11-32-23;1-13(6-19(36)17-9-18(34-12-33-17)20(37)7-14-2-4-30-5-3-14)24-32-11-21(39-24)23(38)35-22-8-15(25(27,28)29)16(26)10-31-22;1-11(2-17(34)15-5-16(32-10-31-15)18(35)3-12-6-28-7-12)22-30-9-19(37-22)21(36)33-20-4-13(23(25,26)27)14(24)8-29-20;1-3-4-16(32)14-7-15(30-10-29-14)17(33)5-11(2)21-28-9-18(35-21)20(34)31-19-6-12(22(24,25)26)13(23)8-27-19;1-3-15(31)13-6-14(29-9-28-13)16(32)4-10(2)20-27-8-17(34-20)19(33)30-18-5-11(21(23,24)25)12(22)7-26-18;1-8(2-13(30)11-4-12(16(24)31)28-7-27-11)18-26-6-14(33-18)17(32)29-15-3-9(19(21,22)23)10(20)5-25-15/h2-3,6,8-14H,4-5,7H2,1H3,(H,32,36,39);8-14,30H,2-7H2,1H3,(H,31,35,38);4-5,8-12,28H,2-3,6-7H2,1H3,(H,29,33,36);6-11H,3-5H2,1-2H3,(H,27,31,34);5-10H,3-4H2,1-2H3,(H,26,30,33);3-8H,2H2,1H3,(H2,24,31)(H,25,29,32)/t;13-;2*11-;10-;8-/m.00000/s1
InChIKeyHLQNYQWODRNOQC-SHSGTBPKSA-N
XLogP30.02
TPSA751.77 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds52
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003259.71
LogP ≤ 530.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 172419716
2-[4-[6-(6-chloro-3-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146733689
2-[4-[6-(2-chloro-4-pyridinyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 147912147
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-pyridin-3-ylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 148537809
2-[4-[6-(4-aminobutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-(4-hydroxybutanoyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[4-chloro-3-(trifluoromethyl)phenyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide;2-[4-[5-chloro-6-(2-oxobutylamino)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-(6-pentanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 157084284
4-N-[1-[5-[(5-chloro-4-methyl-2-pyridinyl)carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4,6-dicarboxamide
CID 157110086
tert-butyl 4-[3-[6-[3-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]butanoyl]pyrimidin-4-yl]propyl]piperazine-1-carboxylate;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-piperazin-1-ylpropyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 157115121
2-[4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[4-[5-chloro-6-[5-(dimethylamino)pentanoyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(4-piperidin-1-ylbutanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide
CID 157170575
4-[(3S)-3-[5-[2-(3-methylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(2-methyl-4-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(4-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(5-methyl-3-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-(6-methyl-2-pyridinyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one;4-[(3S)-3-[5-[2-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 157413466
CID 157651129
CID 157651129
2-[1-[[6-(2-acetamidoethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-piperidin-4-ylpropyl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-pyrrol-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 157678747
6-[(2-amino-2-oxoethyl)amino]-N-[1-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]ethyl]pyrimidine-4-carboxamide;2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[2-[4-(2-hydroxyacetyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 157691279

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide (CID 158516167) is 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(C(=O)CCc2cccnc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.CCCC(=O)c1cc(C(=O)C[C@H](C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)ncn1.C[C@@H](CC(=O)c1cc(C(=O)CC2CCNCC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(=O)CC2CNC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@@H](CC(=O)c1cc(C(N)=O)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.
What is the InChIKey of 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HLQNYQWODRNOQC-SHSGTBPKSA-N. The full InChI is InChI=1S/C26H20ClF3N6O3S.C25H24ClF3N6O3S.C23H20ClF3N6O3S.C22H19ClF3N5O3S.C21H17ClF3N5O3S.C19H14ClF3N6O3S/c1-14(7-21(38)19-9-18(34-13-35-19)20(37)5-4-15-3-2-6-31-10-15)25-33-12-22(40-25)24(39)36-23-8-16(26(28,29)30)17(27)11-32-23;1-13(6-19(36)17-9-18(34-12-33-17)20(37)7-14-2-4-30-5-3-14)24-32-11-21(39-24)23(38)35-22-8-15(25(27,28)29)16(26)10-31-22;1-11(2-17(34)15-5-16(32-10-31-15)18(35)3-12-6-28-7-12)22-30-9-19(37-22)21(36)33-20-4-13(23(25,26)27)14(24)8-29-20;1-3-4-16(32)14-7-15(30-10-29-14)17(33)5-11(2)21-28-9-18(35-21)20(34)31-19-6-12(22(24,25)26)13(23)8-27-19;1-3-15(31)13-6-14(29-9-28-13)16(32)4-10(2)20-27-8-17(34-20)19(33)30-18-5-11(21(23,24)25)12(22)7-26-18;1-8(2-13(30)11-4-12(16(24)31)28-7-27-11)18-26-6-14(33-18)17(32)29-15-3-9(19(21,22)23)10(20)5-25-15/h2-3,6,8-14H,4-5,7H2,1H3,(H,32,36,39);8-14,30H,2-7H2,1H3,(H,31,35,38);4-5,8-12,28H,2-3,6-7H2,1H3,(H,29,33,36);6-11H,3-5H2,1-2H3,(H,27,31,34);5-10H,3-4H2,1-2H3,(H,26,30,33);3-8H,2H2,1H3,(H2,24,31)(H,25,29,32)/t;13-;2*11-;10-;8-/m.00000/s1.
What are the key properties of 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3259.71 g/mol, XLogP of 30.02, 52 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[6-[2-(azetidin-3-yl)acetyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-butanoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-(6-carbamoylpyrimidin-4-yl)-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-[6-(2-piperidin-4-ylacetyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-oxo-4-(6-propanoylpyrimidin-4-yl)butan-2-yl]-1,3-thiazole-5-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-oxo-4-[6-(3-pyridin-3-ylpropanoyl)pyrimidin-4-yl]butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158516167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).