tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone

C198H176N40O22S21 — CID 157233883

IUPACtert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC#CCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1.CCCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1)C(C)(C)C.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C4CCCC4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC[C@H](C)C4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)OC(C)(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(C)=O)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C31H32N6O3S3.2C30H28N6O3S3.C28H22N6O3S3.C28H25N5O4S3.C26H22N6O3S3.C25H19N5O3S3/c1-7-12-36(31(3,4)5)29(38)20-10-8-19(9-11-20)27-32-21(17-41-27)16-40-25-14-22(39-6)13-23-26(25)43-28(33-23)24-15-37-30(34-24)42-18(2)35-37;1-17-5-4-10-35(13-17)29(37)20-8-6-19(7-9-20)27-31-21(16-40-27)15-39-25-12-22(38-3)11-23-26(25)42-28(32-23)24-14-36-30(33-24)41-18(2)34-36;1-17-34-36-14-24(33-30(36)41-17)28-32-23-12-22(38-3)13-25(26(23)42-28)39-15-20-16-40-27(31-20)18-8-10-19(11-9-18)29(37)35(2)21-6-4-5-7-21;1-5-10-33(3)27(35)18-8-6-17(7-9-18)25-29-19(15-38-25)14-37-23-12-20(36-4)11-21-24(23)40-26(30-21)22-13-34-28(31-22)39-16(2)32-34;1-15-32-33-12-21(31-27(33)39-15)25-30-20-10-19(35-5)11-22(23(20)40-25)36-13-18-14-38-24(29-18)16-6-8-17(9-7-16)26(34)37-28(2,3)4;1-14-30-32-11-20(29-26(32)37-14)24-28-19-9-18(34-4)10-21(22(19)38-24)35-12-17-13-36-23(27-17)15-5-7-16(8-6-15)25(33)31(2)3;1-13(31)15-4-6-16(7-5-15)23-26-17(12-34-23)11-33-21-9-18(32-3)8-19-22(21)36-24(27-19)20-10-30-25(28-20)35-14(2)29-30/h8-11,13-15,17H,7,12,16H2,1-6H3;6-9,11-12,14,16-17H,4-5,10,13,15H2,1-3H3;8-14,16,21H,4-7,15H2,1-3H3;1,6-9,11-13,15H,10,14H2,2-4H3;6-12,14H,13H2,1-5H3;5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3/t;17-;;;;;/m.0...../s1
InChIKeyAUKJJLBRHXWAIY-LJMQSPFASA-N
MW4141.25 g/mol
LogP46.71
Rot. Bonds53

About tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone

tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 157233883) has the molecular formula C198H176N40O22S21 and a molecular weight of 4141.25 g/mol. Its IUPAC name is tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Nametert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID157233883
Molecular FormulaC198H176N40O22S21
Molecular Weight4141.25 g/mol
Exact Mass4136.80
IUPAC Nametert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC#CCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1.CCCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1)C(C)(C)C.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C4CCCC4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC[C@H](C)C4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)OC(C)(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(C)=O)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1
InChIInChI=1S/C31H32N6O3S3.2C30H28N6O3S3.C28H22N6O3S3.C28H25N5O4S3.C26H22N6O3S3.C25H19N5O3S3/c1-7-12-36(31(3,4)5)29(38)20-10-8-19(9-11-20)27-32-21(17-41-27)16-40-25-14-22(39-6)13-23-26(25)43-28(33-23)24-15-37-30(34-24)42-18(2)35-37;1-17-5-4-10-35(13-17)29(37)20-8-6-19(7-9-20)27-31-21(16-40-27)15-39-25-12-22(38-3)11-23-26(25)42-28(32-23)24-14-36-30(33-24)41-18(2)34-36;1-17-34-36-14-24(33-30(36)41-17)28-32-23-12-22(38-3)13-25(26(23)42-28)39-15-20-16-40-27(31-20)18-8-10-19(11-9-18)29(37)35(2)21-6-4-5-7-21;1-5-10-33(3)27(35)18-8-6-17(7-9-18)25-29-19(15-38-25)14-37-23-12-20(36-4)11-21-24(23)40-26(30-21)22-13-34-28(31-22)39-16(2)32-34;1-15-32-33-12-21(31-27(33)39-15)25-30-20-10-19(35-5)11-22(23(20)40-25)36-13-18-14-38-24(29-18)16-6-8-17(9-7-16)26(34)37-28(2,3)4;1-14-30-32-11-20(29-26(32)37-14)24-28-19-9-18(34-4)10-21(22(19)38-24)35-12-17-13-36-23(27-17)15-5-7-16(8-6-15)25(33)31(2)3;1-13(31)15-4-6-16(7-5-15)23-26-17(12-34-23)11-33-21-9-18(32-3)8-19-22(21)36-24(27-19)20-10-30-25(28-20)35-14(2)29-30/h8-11,13-15,17H,7,12,16H2,1-6H3;6-9,11-12,14,16-17H,4-5,10,13,15H2,1-3H3;8-14,16,21H,4-7,15H2,1-3H3;1,6-9,11-13,15H,10,14H2,2-4H3;6-12,14H,13H2,1-5H3;5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3/t;17-;;;;;/m.0...../s1
InChIKeyAUKJJLBRHXWAIY-LJMQSPFASA-N
XLogP46.71
TPSA665.93 Ų
H-Bond Donors
H-Bond Acceptors78
Rotatable Bonds53
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004141.25
LogP ≤ 546.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1078

Analyze tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(2-hydroxyethyl)morpholin-4-yl]-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone
CID 134238028
[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(1R,3R,6R)-3-methyl-7-azabicyclo[4.2.1]nonan-7-yl]methanone
CID 134238017
N-(1-methoxy-3-methylbutan-2-yl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 134238029
N-(2-hydroxyethyl)-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propan-2-ylbenzamide
CID 134238050
ethane;[(3R)-3-(hydroxymethyl)morpholin-4-yl]-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone
CID 145146204
4-[4-[[5-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 122526877
4-[4-[[2-(2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5-methoxy-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;oxolane
CID 145146199
5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-7-phenylmethoxy-1,3-benzothiazole
CID 122507675
N-(aminomethyl)-4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 130179778
5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-ol
CID 122507695
4-[4-[[6-methoxy-2-(2-methylimidazo[2,1-f][1,2,4]triazin-6-yl)-1,3-benzoxazol-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
CID 126700136
6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 158536899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 157233883) is tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone is C#CCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1.CCCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4nc(-c5cn6nc(C)sc6n5)sc34)cs2)cc1)C(C)(C)C.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C4CCCC4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC[C@H](C)C4)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(=O)OC(C)(C)C)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.COc1cc(OCc2csc(-c3ccc(C(C)=O)cc3)n2)c2sc(-c3cn4nc(C)sc4n3)nc2c1.
What is the InChIKey of tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is AUKJJLBRHXWAIY-LJMQSPFASA-N. The full InChI is InChI=1S/C31H32N6O3S3.2C30H28N6O3S3.C28H22N6O3S3.C28H25N5O4S3.C26H22N6O3S3.C25H19N5O3S3/c1-7-12-36(31(3,4)5)29(38)20-10-8-19(9-11-20)27-32-21(17-41-27)16-40-25-14-22(39-6)13-23-26(25)43-28(33-23)24-15-37-30(34-24)42-18(2)35-37;1-17-5-4-10-35(13-17)29(37)20-8-6-19(7-9-20)27-31-21(16-40-27)15-39-25-12-22(38-3)11-23-26(25)42-28(32-23)24-14-36-30(33-24)41-18(2)34-36;1-17-34-36-14-24(33-30(36)41-17)28-32-23-12-22(38-3)13-25(26(23)42-28)39-15-20-16-40-27(31-20)18-8-10-19(11-9-18)29(37)35(2)21-6-4-5-7-21;1-5-10-33(3)27(35)18-8-6-17(7-9-18)25-29-19(15-38-25)14-37-23-12-20(36-4)11-21-24(23)40-26(30-21)22-13-34-28(31-22)39-16(2)32-34;1-15-32-33-12-21(31-27(33)39-15)25-30-20-10-19(35-5)11-22(23(20)40-25)36-13-18-14-38-24(29-18)16-6-8-17(9-7-16)26(34)37-28(2,3)4;1-14-30-32-11-20(29-26(32)37-14)24-28-19-9-18(34-4)10-21(22(19)38-24)35-12-17-13-36-23(27-17)15-5-7-16(8-6-15)25(33)31(2)3;1-13(31)15-4-6-16(7-5-15)23-26-17(12-34-23)11-33-21-9-18(32-3)8-19-22(21)36-24(27-19)20-10-30-25(28-20)35-14(2)29-30/h8-11,13-15,17H,7,12,16H2,1-6H3;6-9,11-12,14,16-17H,4-5,10,13,15H2,1-3H3;8-14,16,21H,4-7,15H2,1-3H3;1,6-9,11-13,15H,10,14H2,2-4H3;6-12,14H,13H2,1-5H3;5-11,13H,12H2,1-4H3;4-10,12H,11H2,1-3H3/t;17-;;;;;/m.0...../s1.
What are the key properties of tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 4141.25 g/mol, XLogP of 46.71, 53 rotatable bonds, 0 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]benzoate;N-tert-butyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-propylbenzamide;N-cyclopentyl-4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methyl-N-prop-2-ynylbenzamide;1-[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]ethanone;[4-[4-[[5-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-7-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 157233883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).