tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol

C154H190N22O26S12 — CID 158540298

IUPACtert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol
SMILESCC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(CO)nc2)cs1.CCN1CCC(NC(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1.CCN1CCCN(C(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1
InChIInChI=1S/C29H36N4O6S2.2C27H34N4O4S2.C26H32N4O4S2.C25H32N4O4S2.C20H22N2O4S2/c1-19(2)38-25-10-8-22(41(6,36)37)15-21(25)16-26-31-24(18-40-26)20-7-9-23(30-17-20)27(34)32-11-13-33(14-12-32)28(35)39-29(3,4)5;1-5-30-11-6-12-31(14-13-30)27(32)23-9-7-20(17-28-23)24-18-36-26(29-24)16-21-15-22(37(4,33)34)8-10-25(21)35-19(2)3;1-5-31-12-10-21(11-13-31)29-27(32)23-8-6-19(16-28-23)24-17-36-26(30-24)15-20-14-22(37(4,33)34)7-9-25(20)35-18(2)3;1-17(2)34-24-8-6-21(36(4,32)33)13-19(24)14-25-29-23(16-35-25)18-5-7-22(27-15-18)26(31)28-20-9-11-30(3)12-10-20;1-17(2)33-23-10-8-20(35(6,31)32)13-19(23)14-24-27-22(16-34-24)18-7-9-21(26-15-18)25(30)29(5)12-11-28(3)4;1-13(2)26-19-7-6-17(28(3,24)25)8-15(19)9-20-22-18(12-27-20)14-4-5-16(11-23)21-10-14/h7-10,15,17-19H,11-14,16H2,1-6H3;7-10,15,17-19H,5-6,11-14,16H2,1-4H3;6-9,14,16-18,21H,5,10-13,15H2,1-4H3,(H,29,32);5-8,13,15-17,20H,9-12,14H2,1-4H3,(H,28,31);7-10,13,15-17H,11-12,14H2,1-6H3;4-8,10,12-13,23H,9,11H2,1-3H3
InChIKeyHOKYOKOOGGPCSZ-UHFFFAOYSA-N
MW3150.15 g/mol
LogP23.94
Rot. Bonds49

About tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol

tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol (PubChem CID 158540298) has the molecular formula C154H190N22O26S12 and a molecular weight of 3150.15 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Nametert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol
PubChem CID158540298
Molecular FormulaC154H190N22O26S12
Molecular Weight3150.15 g/mol
Exact Mass3147.09
IUPAC Nametert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol
SMILESCC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(CO)nc2)cs1.CCN1CCC(NC(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1.CCN1CCCN(C(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1
InChIInChI=1S/C29H36N4O6S2.2C27H34N4O4S2.C26H32N4O4S2.C25H32N4O4S2.C20H22N2O4S2/c1-19(2)38-25-10-8-22(41(6,36)37)15-21(25)16-26-31-24(18-40-26)20-7-9-23(30-17-20)27(34)32-11-13-33(14-12-32)28(35)39-29(3,4)5;1-5-30-11-6-12-31(14-13-30)27(32)23-9-7-20(17-28-23)24-18-36-26(29-24)16-21-15-22(37(4,33)34)8-10-25(21)35-19(2)3;1-5-31-12-10-21(11-13-31)29-27(32)23-8-6-19(16-28-23)24-17-36-26(30-24)15-20-14-22(37(4,33)34)7-9-25(20)35-18(2)3;1-17(2)34-24-8-6-21(36(4,32)33)13-19(24)14-25-29-23(16-35-25)18-5-7-22(27-15-18)26(31)28-20-9-11-30(3)12-10-20;1-17(2)33-23-10-8-20(35(6,31)32)13-19(23)14-24-27-22(16-34-24)18-7-9-21(26-15-18)25(30)29(5)12-11-28(3)4;1-13(2)26-19-7-6-17(28(3,24)25)8-15(19)9-20-22-18(12-27-20)14-4-5-16(11-23)21-10-14/h7-10,15,17-19H,11-14,16H2,1-6H3;7-10,15,17-19H,5-6,11-14,16H2,1-4H3;6-9,14,16-18,21H,5,10-13,15H2,1-4H3,(H,29,32);5-8,13,15-17,20H,9-12,14H2,1-4H3,(H,28,31);7-10,13,15-17H,11-12,14H2,1-6H3;4-8,10,12-13,23H,9,11H2,1-3H3
InChIKeyHOKYOKOOGGPCSZ-UHFFFAOYSA-N
XLogP23.94
TPSA596.76 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds49
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003150.15
LogP ≤ 523.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Analyze tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol 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

[5-[2-[[5-(amino-methylidene-oxo-lambda6-sulfanyl)-2-propan-2-yloxyphenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone;N-[2-(dimethylamino)ethyl]-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[4-(dimethylamino)piperidin-1-yl]-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;(4-methyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 157409164
methyl 4-[[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-12-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate;methyl 4-[[[2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 159571771
tert-butyl 4-[[(R)-[(6S,7R,8R,12S,19S,26S)-12-[(4-acetyloxyphenyl)methyl]-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-19-yl]-phenylmethoxy]carbonylamino]butanoate;tert-butyl 4-[[(6S,7R,8R,12S,19S,26S)-12-[(4-acetyloxyphenyl)methyl]-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-8-yl]oxycarbonylamino]butanoate
CID 160033592
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-[(2-propan-2-yloxy-5-sulfamoylphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;ethyl 3-[[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]pyridine-2-carbonyl]amino]propanoate;N-(3-methylbutyl)-5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]pyridine-2-carboxamide;3-[[4-[6-[2-(1-methylpiperidin-3-yl)acetyl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-3-[[4-[6-[2-(1-propan-2-ylpiperidin-4-yl)acetyl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 160045216
[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-methoxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-8-yl] acetate;[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-12-[(4-methoxyphenyl)methyl]-7,23-dimethyl-19-[(R)-3-(4-methylpiperazin-1-yl)propylcarbamoyloxy-phenylmethyl]-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-8-yl] acetate;methane;3-(4-methylpiperazin-1-yl)propan-1-amine
CID 160055938
[4-[[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-36-(4-carbamoyl-1,3-thiazol-2-yl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-12-yl]methyl]phenyl] acetate;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;tert-butyl 4-aminobutanoate
CID 160522634
2-[(6S,7R,8R,12S,19S,26S)-12-[[4-(2-aminoethoxy)phenyl]methyl]-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxamide;2-[(6S,7R,8R,12S,19S,26S)-26-(2-amino-2-oxoethyl)-8-hydroxy-19-[(R)-hydroxy(phenyl)methyl]-12-[(4-methoxyphenyl)methyl]-7,23-dimethyl-11,14,21,28-tetraoxo-4,17,24,31,41-pentathia-10,13,20,27,37,42,43,44,45,46-decazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-36-yl]-1,3-thiazole-4-carboxylic acid
CID 161140650
[5-[2-[[5-(amino-methylidene-oxo-lambda6-sulfanyl)-2-propan-2-yloxyphenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;N',N'-dimethyl-N-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]ethane-1,2-diamine;2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-4-(6-piperazin-1-yl-3-pyridinyl)-1,3-thiazole;5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid;N,N,N'-trimethyl-N'-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]ethane-1,2-diamine
CID 161931044

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol?
The IUPAC name of tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol (CID 158540298) is tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol.
What is the SMILES notation for tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol?
The canonical SMILES for tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol is CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N(C)CCN(C)C)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(C(=O)NC3CCN(C)CC3)nc2)cs1.CC(C)Oc1ccc(S(C)(=O)=O)cc1Cc1nc(-c2ccc(CO)nc2)cs1.CCN1CCC(NC(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1.CCN1CCCN(C(=O)c2ccc(-c3csc(Cc4cc(S(C)(=O)=O)ccc4OC(C)C)n3)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol?
The InChIKey is HOKYOKOOGGPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O6S2.2C27H34N4O4S2.C26H32N4O4S2.C25H32N4O4S2.C20H22N2O4S2/c1-19(2)38-25-10-8-22(41(6,36)37)15-21(25)16-26-31-24(18-40-26)20-7-9-23(30-17-20)27(34)32-11-13-33(14-12-32)28(35)39-29(3,4)5;1-5-30-11-6-12-31(14-13-30)27(32)23-9-7-20(17-28-23)24-18-36-26(29-24)16-21-15-22(37(4,33)34)8-10-25(21)35-19(2)3;1-5-31-12-10-21(11-13-31)29-27(32)23-8-6-19(16-28-23)24-17-36-26(30-24)15-20-14-22(37(4,33)34)7-9-25(20)35-18(2)3;1-17(2)34-24-8-6-21(36(4,32)33)13-19(24)14-25-29-23(16-35-25)18-5-7-22(27-15-18)26(31)28-20-9-11-30(3)12-10-20;1-17(2)33-23-10-8-20(35(6,31)32)13-19(23)14-24-27-22(16-34-24)18-7-9-21(26-15-18)25(30)29(5)12-11-28(3)4;1-13(2)26-19-7-6-17(28(3,24)25)8-15(19)9-20-22-18(12-27-20)14-4-5-16(11-23)21-10-14/h7-10,15,17-19H,11-14,16H2,1-6H3;7-10,15,17-19H,5-6,11-14,16H2,1-4H3;6-9,14,16-18,21H,5,10-13,15H2,1-4H3,(H,29,32);5-8,13,15-17,20H,9-12,14H2,1-4H3,(H,28,31);7-10,13,15-17H,11-12,14H2,1-6H3;4-8,10,12-13,23H,9,11H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol?
tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol has a molecular weight of 3150.15 g/mol, XLogP of 23.94, 49 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonyl]piperazine-1-carboxylate;N-[2-(dimethylamino)ethyl]-N-methyl-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;(4-ethyl-1,4-diazepan-1-yl)-[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanone;N-(1-ethylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;N-(1-methylpiperidin-4-yl)-5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;[5-[2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)methyl]-1,3-thiazol-4-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 158540298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).