4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C111H118N32O22S8 — CID 159941234

IUPAC4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(-c3ccc(-c4nn[nH]n4)cc3)cc(N3CCC(O)CC3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(-c3ccc(C(=O)O)cc3)cc(N3CCCC(CO)C3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cccnc3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cnco3)n2)nc1C.COC(=O)c1sc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)cc(OC)n2)nc1C
InChIInChI=1S/C24H24N6O4S2.C24H27N5O5S.C23H25N9O3S.C22H22N6O5S2.C18H20N6O5S2/c1-4-34-22(31)21-15(2)27-24(35-21)30-23-28-19(17-6-5-11-25-14-17)12-20(29-23)26-13-16-7-9-18(10-8-16)36(3,32)33;1-3-34-22(33)20-14(2)25-24(35-20)28-23-26-18(16-6-8-17(9-7-16)21(31)32)11-19(27-23)29-10-4-5-15(12-29)13-30;1-3-35-21(34)19-13(2)24-23(36-19)27-22-25-17(12-18(26-22)32-10-8-16(33)9-11-32)14-4-6-15(7-5-14)20-28-30-31-29-20;1-4-32-20(29)19-13(2)25-22(34-19)28-21-26-16(17-11-23-12-33-17)9-18(27-21)24-10-14-5-7-15(8-6-14)35(3,30)31;1-10-15(16(25)29-3)30-18(21-10)24-17-22-13(8-14(23-17)28-2)20-9-11-4-6-12(7-5-11)31(19,26)27/h5-12,14H,4,13H2,1-3H3,(H2,26,27,28,29,30);6-9,11,15,30H,3-5,10,12-13H2,1-2H3,(H,31,32)(H,25,26,27,28);4-7,12,16,33H,3,8-11H2,1-2H3,(H,24,25,26,27)(H,28,29,30,31);5-9,11-12H,4,10H2,1-3H3,(H2,24,25,26,27,28);4-8H,9H2,1-3H3,(H2,19,26,27)(H2,20,21,22,23,24)
InChIKeyOAXHASCLZKOTRG-UHFFFAOYSA-N
MW2508.90 g/mol
LogP16.82
Rot. Bonds41

About 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 159941234) has the molecular formula C111H118N32O22S8 and a molecular weight of 2508.90 g/mol. Its IUPAC name is 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID159941234
Molecular FormulaC111H118N32O22S8
Molecular Weight2508.90 g/mol
Exact Mass2506.69
IUPAC Name4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nc(-c3ccc(-c4nn[nH]n4)cc3)cc(N3CCC(O)CC3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(-c3ccc(C(=O)O)cc3)cc(N3CCCC(CO)C3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cccnc3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cnco3)n2)nc1C.COC(=O)c1sc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)cc(OC)n2)nc1C
InChIInChI=1S/C24H24N6O4S2.C24H27N5O5S.C23H25N9O3S.C22H22N6O5S2.C18H20N6O5S2/c1-4-34-22(31)21-15(2)27-24(35-21)30-23-28-19(17-6-5-11-25-14-17)12-20(29-23)26-13-16-7-9-18(10-8-16)36(3,32)33;1-3-34-22(33)20-14(2)25-24(35-20)28-23-26-18(16-6-8-17(9-7-16)21(31)32)11-19(27-23)29-10-4-5-15(12-29)13-30;1-3-35-21(34)19-13(2)24-23(36-19)27-22-25-17(12-18(26-22)32-10-8-16(33)9-11-32)14-4-6-15(7-5-14)20-28-30-31-29-20;1-4-32-20(29)19-13(2)25-22(34-19)28-21-26-16(17-11-23-12-33-17)9-18(27-21)24-10-14-5-7-15(8-6-14)35(3,30)31;1-10-15(16(25)29-3)30-18(21-10)24-17-22-13(8-14(23-17)28-2)20-9-11-4-6-12(7-5-11)31(19,26)27/h5-12,14H,4,13H2,1-3H3,(H2,26,27,28,29,30);6-9,11,15,30H,3-5,10,12-13H2,1-2H3,(H,31,32)(H,25,26,27,28);4-7,12,16,33H,3,8-11H2,1-2H3,(H,24,25,26,27)(H,28,29,30,31);5-9,11-12H,4,10H2,1-3H3,(H2,24,25,26,27,28);4-8H,9H2,1-3H3,(H2,19,26,27)(H2,20,21,22,23,24)
InChIKeyOAXHASCLZKOTRG-UHFFFAOYSA-N
XLogP16.82
TPSA736.38 Ų
H-Bond Donors13
H-Bond Acceptors56
Rotatable Bonds41
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002508.90
LogP ≤ 516.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate 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

ethyl 2-[[4-[3-(hydroxymethyl)piperidin-1-yl]-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 59314617
4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid
CID 59314620
4-[[[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]benzoic acid;ethyl 2-[[4-(4-ethoxycarbonylpiperazin-1-yl)-6-[methyl(2H-tetrazol-5-ylmethyl)amino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[5-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 158400836
4-methyl-2-[[4-(1,3-oxazol-5-yl)-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 135378560
ethyl 4-methyl-2-[[4-(1,3-oxazol-5-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 152753969
ethyl 2-[[4-(3-carbamoylpiperazin-1-yl)-6-[(4-methylsulfonylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 87088375
ethyl 2-[[4-[3-(hydroxymethyl)piperidin-1-yl]-7-[(4-methylsulfonylphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 87353278
ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-7-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 87353653
4-[[[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-(3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonic acid
CID 141349257
ethyl 2-[[4-(3-carbamoylpiperidin-1-yl)-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 91457680
ethyl 2-[[4-[4-[[di(propan-2-yl)amino]-ethylcarbamoyl]phenyl]-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 87421859
ethyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 87089190

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 159941234) is 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nc(-c3ccc(-c4nn[nH]n4)cc3)cc(N3CCC(O)CC3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(-c3ccc(C(=O)O)cc3)cc(N3CCCC(CO)C3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cccnc3)n2)nc1C.CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)cc(-c3cnco3)n2)nc1C.COC(=O)c1sc(Nc2nc(NCc3ccc(S(N)(=O)=O)cc3)cc(OC)n2)nc1C.
What is the InChIKey of 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is OAXHASCLZKOTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4S2.C24H27N5O5S.C23H25N9O3S.C22H22N6O5S2.C18H20N6O5S2/c1-4-34-22(31)21-15(2)27-24(35-21)30-23-28-19(17-6-5-11-25-14-17)12-20(29-23)26-13-16-7-9-18(10-8-16)36(3,32)33;1-3-34-22(33)20-14(2)25-24(35-20)28-23-26-18(16-6-8-17(9-7-16)21(31)32)11-19(27-23)29-10-4-5-15(12-29)13-30;1-3-35-21(34)19-13(2)24-23(36-19)27-22-25-17(12-18(26-22)32-10-8-16(33)9-11-32)14-4-6-15(7-5-14)20-28-30-31-29-20;1-4-32-20(29)19-13(2)25-22(34-19)28-21-26-16(17-11-23-12-33-17)9-18(27-21)24-10-14-5-7-15(8-6-14)35(3,30)31;1-10-15(16(25)29-3)30-18(21-10)24-17-22-13(8-14(23-17)28-2)20-9-11-4-6-12(7-5-11)31(19,26)27/h5-12,14H,4,13H2,1-3H3,(H2,26,27,28,29,30);6-9,11,15,30H,3-5,10,12-13H2,1-2H3,(H,31,32)(H,25,26,27,28);4-7,12,16,33H,3,8-11H2,1-2H3,(H,24,25,26,27)(H,28,29,30,31);5-9,11-12H,4,10H2,1-3H3,(H2,24,25,26,27,28);4-8H,9H2,1-3H3,(H2,19,26,27)(H2,20,21,22,23,24).
What are the key properties of 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 2508.90 g/mol, XLogP of 16.82, 41 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]benzoic acid;ethyl 2-[[4-(4-hydroxypiperidin-1-yl)-6-[4-(2H-tetrazol-5-yl)phenyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-(1,3-oxazol-5-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;ethyl 4-methyl-2-[[4-[(4-methylsulfonylphenyl)methylamino]-6-pyridin-3-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate;methyl 2-[[4-methoxy-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 159941234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).