N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine

C165H150N36O19S7 — CID 157082406

IUPACN-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine
SMILESCOc1cc(OCc2csc(N(C)C(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4ccc(C)cn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4cccc(C)n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc(C)c(C)n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc4scnc4c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cccc(Nc2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)c1
InChIInChI=1S/2C30H29N7O3S.C27H20N6O3S2.C27H24N6O3S.C27H23N5O4S.C24H25N5O3S/c1-19-4-6-28(31-15-19)35-8-10-36(11-9-35)30-32-21(18-41-30)17-39-25-12-22(38-3)13-26-23(25)14-27(40-26)24-16-37-29(33-24)7-5-20(2)34-37;1-19-5-4-6-28(31-19)35-9-11-36(12-10-35)30-32-21(18-41-30)17-39-25-13-22(38-3)14-26-23(25)15-27(40-26)24-16-37-29(33-24)8-7-20(2)34-37;1-15-3-6-26-31-21(11-33(26)32-15)24-10-19-22(8-18(34-2)9-23(19)36-24)35-12-17-13-37-27(30-17)29-16-4-5-25-20(7-16)28-14-38-25;1-15-5-7-25(28-17(15)3)31-27-29-18(14-37-27)13-35-22-9-19(34-4)10-23-20(22)11-24(36-23)21-12-33-26(30-21)8-6-16(2)32-33;1-16-7-8-26-30-22(13-32(26)31-16)25-12-21-23(10-20(34-3)11-24(21)36-25)35-14-18-15-37-27(29-18)28-17-5-4-6-19(9-17)33-2;1-14(2)28(4)24-25-16(13-33-24)12-31-20-8-17(30-5)9-21-18(20)10-22(32-21)19-11-29-23(26-19)7-6-15(3)27-29/h4-7,12-16,18H,8-11,17H2,1-3H3;4-8,13-16,18H,9-12,17H2,1-3H3;3-11,13-14H,12H2,1-2H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,28,29,31);4-13,15H,14H2,1-3H3,(H,28,29);6-11,13-14H,12H2,1-5H3
InChIKeyADRYHAALMISEMV-UHFFFAOYSA-N
MW3165.72 g/mol
LogP35.74
Rot. Bonds43

About N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine

N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine (PubChem CID 157082406) has the molecular formula C165H150N36O19S7 and a molecular weight of 3165.72 g/mol. Its IUPAC name is N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine
PubChem CID157082406
Molecular FormulaC165H150N36O19S7
Molecular Weight3165.72 g/mol
Exact Mass3162.99
IUPAC NameN-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine
SMILESCOc1cc(OCc2csc(N(C)C(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4ccc(C)cn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4cccc(C)n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc(C)c(C)n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc4scnc4c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cccc(Nc2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)c1
InChIInChI=1S/2C30H29N7O3S.C27H20N6O3S2.C27H24N6O3S.C27H23N5O4S.C24H25N5O3S/c1-19-4-6-28(31-15-19)35-8-10-36(11-9-35)30-32-21(18-41-30)17-39-25-12-22(38-3)13-26-23(25)14-27(40-26)24-16-37-29(33-24)7-5-20(2)34-37;1-19-5-4-6-28(31-19)35-9-11-36(12-10-35)30-32-21(18-41-30)17-39-25-13-22(38-3)14-26-23(25)15-27(40-26)24-16-37-29(33-24)8-7-20(2)34-37;1-15-3-6-26-31-21(11-33(26)32-15)24-10-19-22(8-18(34-2)9-23(19)36-24)35-12-17-13-37-27(30-17)29-16-4-5-25-20(7-16)28-14-38-25;1-15-5-7-25(28-17(15)3)31-27-29-18(14-37-27)13-35-22-9-19(34-4)10-23-20(22)11-24(36-23)21-12-33-26(30-21)8-6-16(2)32-33;1-16-7-8-26-30-22(13-32(26)31-16)25-12-21-23(10-20(34-3)11-24(21)36-25)35-14-18-15-37-27(29-18)28-17-5-4-6-19(9-17)33-2;1-14(2)28(4)24-25-16(13-33-24)12-31-20-8-17(30-5)9-21-18(20)10-22(32-21)19-11-29-23(26-19)7-6-15(3)27-29/h4-7,12-16,18H,8-11,17H2,1-3H3;4-8,13-16,18H,9-12,17H2,1-3H3;3-11,13-14H,12H2,1-2H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,28,29,31);4-13,15H,14H2,1-3H3,(H,28,29);6-11,13-14H,12H2,1-5H3
InChIKeyADRYHAALMISEMV-UHFFFAOYSA-N
XLogP35.74
TPSA561.16 Ų
H-Bond Donors3
H-Bond Acceptors62
Rotatable Bonds43
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.72
LogP ≤ 535.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1062

Analyze N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[6-Methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 117981530
4-[[6-Methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(4-phenylpiperazin-1-yl)-1,3-thiazole
CID 117981546
N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine
CID 117981565
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 117981527
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 117981528
1-N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 117981531
1-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylpiperidin-4-amine
CID 117981536
1-[3-[[4-[[6-Methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]amino]propyl]pyrrolidin-2-one
CID 117981539
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 117981541
4-[[6-Methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 117981547
N-(4,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine
CID 117981548
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 117981551

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine (CID 157082406) is N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine is COc1cc(OCc2csc(N(C)C(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4ccc(C)cn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(N3CCN(c4cccc(C)n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc(C)c(C)n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cc(OCc2csc(Nc3ccc4scnc4c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1.COc1cccc(Nc2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)c1.
What is the InChIKey of N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine?
The InChIKey is ADRYHAALMISEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29N7O3S.C27H20N6O3S2.C27H24N6O3S.C27H23N5O4S.C24H25N5O3S/c1-19-4-6-28(31-15-19)35-8-10-36(11-9-35)30-32-21(18-41-30)17-39-25-12-22(38-3)13-26-23(25)14-27(40-26)24-16-37-29(33-24)7-5-20(2)34-37;1-19-5-4-6-28(31-19)35-9-11-36(12-10-35)30-32-21(18-41-30)17-39-25-13-22(38-3)14-26-23(25)15-27(40-26)24-16-37-29(33-24)8-7-20(2)34-37;1-15-3-6-26-31-21(11-33(26)32-15)24-10-19-22(8-18(34-2)9-23(19)36-24)35-12-17-13-37-27(30-17)29-16-4-5-25-20(7-16)28-14-38-25;1-15-5-7-25(28-17(15)3)31-27-29-18(14-37-27)13-35-22-9-19(34-4)10-23-20(22)11-24(36-23)21-12-33-26(30-21)8-6-16(2)32-33;1-16-7-8-26-30-22(13-32(26)31-16)25-12-21-23(10-20(34-3)11-24(21)36-25)35-14-18-15-37-27(29-18)28-17-5-4-6-19(9-17)33-2;1-14(2)28(4)24-25-16(13-33-24)12-31-20-8-17(30-5)9-21-18(20)10-22(32-21)19-11-29-23(26-19)7-6-15(3)27-29/h4-7,12-16,18H,8-11,17H2,1-3H3;4-8,13-16,18H,9-12,17H2,1-3H3;3-11,13-14H,12H2,1-2H3,(H,29,30);5-12,14H,13H2,1-4H3,(H,28,29,31);4-13,15H,14H2,1-3H3,(H,28,29);6-11,13-14H,12H2,1-5H3.
What are the key properties of N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine?
N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine has a molecular weight of 3165.72 g/mol, XLogP of 35.74, 43 rotatable bonds, 3 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-2-pyridinyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(3-methoxyphenyl)-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1,3-thiazole;N-[4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 157082406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).