benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate

C262H274N52O40S11 — CID 157150923

IUPACbenzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)c(C)nn3)cc2s1.CC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1.CC(=O)Nc1nc2ccc(-c3ccnc(NC(=O)OC4CCCCC4)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC(C)C)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCC5(CC4)OCCO5)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OCc4ccccc4)c3)cc2s1.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1.Cc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cc2s1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)OC1CCCCC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCCOC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1.[C-]#[N+]c1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C24H26N4O5S.C23H26N6O3.2C23H24N4O4S.C23H20N4O3S.C22H21N5O3S.C22H24N4O4S.C21H23N5O3S.C21H22N4O3S.C21H23N3O2S.C20H21N5O3S.C19H20N4O3S/c1-14-20(28-23(30)33-18-5-7-24(8-6-18)31-9-10-32-24)11-17(13-25-14)16-3-4-19-21(12-16)34-22(27-19)26-15(2)29;1-14-19(25-23(31)32-17-5-3-2-4-6-17)11-16(12-24-14)18-9-10-21-26-20(13-29(21)28-18)27-22(30)15-7-8-15;1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14;1-13-19(26-23(29)31-17-3-2-8-30-12-17)9-16(11-24-13)15-6-7-18-20(10-15)32-22(25-18)27-21(28)14-4-5-14;1-14-20(27-23(29)30-13-16-6-4-3-5-7-16)10-18(12-24-14)17-8-9-19-21(11-17)31-22(26-19)25-15(2)28;1-13(28)25-21-26-17-9-8-14(11-19(17)31-21)15-10-18(20(23-2)24-12-15)27-22(29)30-16-6-4-3-5-7-16;1-13(27)24-21-25-17-9-8-14(11-19(17)31-21)15-10-18(20(29-2)23-12-15)26-22(28)30-16-6-4-3-5-7-16;1-12-17(24-21(28)29-15-6-4-3-5-7-15)11-18(26-25-12)14-8-9-16-19(10-14)30-20(23-16)22-13(2)27;1-13(26)23-20-24-17-8-7-14(11-18(17)29-20)15-9-10-22-19(12-15)25-21(27)28-16-5-3-2-4-6-16;1-13-19(24-21(25)26-17-6-4-3-5-7-17)10-16(12-22-13)15-8-9-18-20(11-15)27-14(2)23-18;1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14;1-10(2)26-19(25)23-16-7-14(9-20-11(16)3)13-5-6-15-17(8-13)27-18(22-15)21-12(4)24/h3-4,11-13,18H,5-10H2,1-2H3,(H,28,30)(H,26,27,29);9-13,15,17H,2-8H2,1H3,(H,25,31)(H,27,30);4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28);6-7,9-11,14,17H,2-5,8,12H2,1H3,(H,26,29)(H,25,27,28);3-12H,13H2,1-2H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,26,28)(H,24,25,27);8-11,15H,3-7H2,1-2H3,(H,22,23,27)(H,24,26,28);7-12,16H,2-6H2,1H3,(H,22,25,27)(H,23,24,26);8-12,17H,3-7H2,1-2H3,(H,24,25);7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27);5-10H,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyALGBIAAAXBIWKU-UHFFFAOYSA-N
MW5144.14 g/mol
LogP60.13
Rot. Bonds52

About benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate

benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 157150923) has the molecular formula C262H274N52O40S11 and a molecular weight of 5144.14 g/mol. Its IUPAC name is benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID157150923
Molecular FormulaC262H274N52O40S11
Molecular Weight5144.14 g/mol
Exact Mass5139.79
IUPAC Namebenzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)c(C)nn3)cc2s1.CC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1.CC(=O)Nc1nc2ccc(-c3ccnc(NC(=O)OC4CCCCC4)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC(C)C)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCC5(CC4)OCCO5)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OCc4ccccc4)c3)cc2s1.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1.Cc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cc2s1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)OC1CCCCC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCCOC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1.[C-]#[N+]c1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C24H26N4O5S.C23H26N6O3.2C23H24N4O4S.C23H20N4O3S.C22H21N5O3S.C22H24N4O4S.C21H23N5O3S.C21H22N4O3S.C21H23N3O2S.C20H21N5O3S.C19H20N4O3S/c1-14-20(28-23(30)33-18-5-7-24(8-6-18)31-9-10-32-24)11-17(13-25-14)16-3-4-19-21(12-16)34-22(27-19)26-15(2)29;1-14-19(25-23(31)32-17-5-3-2-4-6-17)11-16(12-24-14)18-9-10-21-26-20(13-29(21)28-18)27-22(30)15-7-8-15;1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14;1-13-19(26-23(29)31-17-3-2-8-30-12-17)9-16(11-24-13)15-6-7-18-20(10-15)32-22(25-18)27-21(28)14-4-5-14;1-14-20(27-23(29)30-13-16-6-4-3-5-7-16)10-18(12-24-14)17-8-9-19-21(11-17)31-22(26-19)25-15(2)28;1-13(28)25-21-26-17-9-8-14(11-19(17)31-21)15-10-18(20(23-2)24-12-15)27-22(29)30-16-6-4-3-5-7-16;1-13(27)24-21-25-17-9-8-14(11-19(17)31-21)15-10-18(20(29-2)23-12-15)26-22(28)30-16-6-4-3-5-7-16;1-12-17(24-21(28)29-15-6-4-3-5-7-15)11-18(26-25-12)14-8-9-16-19(10-14)30-20(23-16)22-13(2)27;1-13(26)23-20-24-17-8-7-14(11-18(17)29-20)15-9-10-22-19(12-15)25-21(27)28-16-5-3-2-4-6-16;1-13-19(24-21(25)26-17-6-4-3-5-7-17)10-16(12-22-13)15-8-9-18-20(11-15)27-14(2)23-18;1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14;1-10(2)26-19(25)23-16-7-14(9-20-11(16)3)13-5-6-15-17(8-13)27-18(22-15)21-12(4)24/h3-4,11-13,18H,5-10H2,1-2H3,(H,28,30)(H,26,27,29);9-13,15,17H,2-8H2,1H3,(H,25,31)(H,27,30);4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28);6-7,9-11,14,17H,2-5,8,12H2,1H3,(H,26,29)(H,25,27,28);3-12H,13H2,1-2H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,26,28)(H,24,25,27);8-11,15H,3-7H2,1-2H3,(H,22,23,27)(H,24,26,28);7-12,16H,2-6H2,1H3,(H,22,25,27)(H,23,24,26);8-12,17H,3-7H2,1-2H3,(H,24,25);7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27);5-10H,1-4H3,(H,23,25)(H,21,22,24)
InChIKeyALGBIAAAXBIWKU-UHFFFAOYSA-N
XLogP60.13
TPSA1183.01 Ų
H-Bond Donors23
H-Bond Acceptors79
Rotatable Bonds52
Heavy Atoms365
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005144.14
LogP ≤ 560.13
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1079

Analyze benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate with MolForge

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What is the IUPAC name of benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (CID 157150923) is benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is CC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)c(C)nn3)cc2s1.CC(=O)Nc1nc2ccc(-c3cc(NC(=O)OC4CCCCC4)ncn3)cc2s1.CC(=O)Nc1nc2ccc(-c3ccnc(NC(=O)OC4CCCCC4)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC(C)C)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCC5(CC4)OCCO5)c3)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc(C)c(NC(=O)OCc4ccccc4)c3)cc2s1.COc1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1.Cc1nc2ccc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)cc2s1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)OC1CCCCC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCCOC1.Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1.[C-]#[N+]c1ncc(-c2ccc3nc(NC(C)=O)sc3c2)cc1NC(=O)OC1CCCCC1.
What is the InChIKey of benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is ALGBIAAAXBIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S.C23H26N6O3.2C23H24N4O4S.C23H20N4O3S.C22H21N5O3S.C22H24N4O4S.C21H23N5O3S.C21H22N4O3S.C21H23N3O2S.C20H21N5O3S.C19H20N4O3S/c1-14-20(28-23(30)33-18-5-7-24(8-6-18)31-9-10-32-24)11-17(13-25-14)16-3-4-19-21(12-16)34-22(27-19)26-15(2)29;1-14-19(25-23(31)32-17-5-3-2-4-6-17)11-16(12-24-14)18-9-10-21-26-20(13-29(21)28-18)27-22(30)15-7-8-15;1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14;1-13-19(26-23(29)31-17-3-2-8-30-12-17)9-16(11-24-13)15-6-7-18-20(10-15)32-22(25-18)27-21(28)14-4-5-14;1-14-20(27-23(29)30-13-16-6-4-3-5-7-16)10-18(12-24-14)17-8-9-19-21(11-17)31-22(26-19)25-15(2)28;1-13(28)25-21-26-17-9-8-14(11-19(17)31-21)15-10-18(20(23-2)24-12-15)27-22(29)30-16-6-4-3-5-7-16;1-13(27)24-21-25-17-9-8-14(11-19(17)31-21)15-10-18(20(29-2)23-12-15)26-22(28)30-16-6-4-3-5-7-16;1-12-17(24-21(28)29-15-6-4-3-5-7-15)11-18(26-25-12)14-8-9-16-19(10-14)30-20(23-16)22-13(2)27;1-13(26)23-20-24-17-8-7-14(11-18(17)29-20)15-9-10-22-19(12-15)25-21(27)28-16-5-3-2-4-6-16;1-13-19(24-21(25)26-17-6-4-3-5-7-17)10-16(12-22-13)15-8-9-18-20(11-15)27-14(2)23-18;1-12(26)23-19-24-15-8-7-13(9-17(15)29-19)16-10-18(22-11-21-16)25-20(27)28-14-5-3-2-4-6-14;1-10(2)26-19(25)23-16-7-14(9-20-11(16)3)13-5-6-15-17(8-13)27-18(22-15)21-12(4)24/h3-4,11-13,18H,5-10H2,1-2H3,(H,28,30)(H,26,27,29);9-13,15,17H,2-8H2,1H3,(H,25,31)(H,27,30);4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28);6-7,9-11,14,17H,2-5,8,12H2,1H3,(H,26,29)(H,25,27,28);3-12H,13H2,1-2H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1H3,(H,27,29)(H,25,26,28);8-12,16H,3-7H2,1-2H3,(H,26,28)(H,24,25,27);8-11,15H,3-7H2,1-2H3,(H,22,23,27)(H,24,26,28);7-12,16H,2-6H2,1H3,(H,22,25,27)(H,23,24,26);8-12,17H,3-7H2,1-2H3,(H,24,25);7-11,14H,2-6H2,1H3,(H,23,24,26)(H,21,22,25,27);5-10H,1-4H3,(H,23,25)(H,21,22,24).
What are the key properties of benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 5144.14 g/mol, XLogP of 60.13, 52 rotatable bonds, 23 hydrogen bond donors, and 79 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-isocyano-3-pyridinyl]carbamate;cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)-3-methylpyridazin-4-yl]carbamate;cyclohexyl N-[4-(2-acetamido-1,3-benzothiazol-6-yl)-2-pyridinyl]carbamate;cyclohexyl N-[6-(2-acetamido-1,3-benzothiazol-6-yl)pyrimidin-4-yl]carbamate;cyclohexyl N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-2-methyl-3-pyridinyl]carbamate;cyclohexyl N-[2-methyl-5-(2-methyl-1,3-benzothiazol-6-yl)-3-pyridinyl]carbamate;1,4-dioxaspiro[4.5]decan-8-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate;oxan-3-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate;propan-2-yl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 157150923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).