(2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine

C137H179N43O15S20 — CID 157435386

About (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine

(2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine (PubChem CID 157435386) has the molecular formula C137H179N43O15S20 and a molecular weight of 3316.61 g/mol. Its IUPAC name is (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine.

Molecular Properties

• Compound Name: (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine
• PubChem CID: 157435386
• Molecular Formula: C137H179N43O15S20
• Molecular Weight: 3316.61 g/mol
• Exact Mass: 3312.94
• IUPAC Name: (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine
• SMILES: C=S(N)(=O)c1ccc2nc(NC[C@@H](C)CNc3ncc(SC)cn3)sc2c1.CCOC(=O)CNS(=O)(=O)c1ccc2nc(NCC(C)CNc3ncc(SC)cn3)sc2c1.CNS(=O)(=O)c1ccc2nc(NCC(C)CNc3ncc(SC)cn3)sc2c1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CC(C)C4)cc3s2)nc1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)nc1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.[2H]C1([2H])NC([2H])(C)C([2H])([2H])N(C(=O)c2ccc3nc(NC[C@@H](C)CNc4ncc(SC)cn4)sc3c2)C1([2H])[2H]
• InChI: InChI=1S/C22H29N7OS2.C21H28N6O2S3.C20H26N6O4S3.C20H26N6O3S3.C20H26N6O2S3.C17H22N6O2S3.C17H22N6OS3/c1-14(9-24-21-25-11-17(31-3)12-26-21)10-27-22-28-18-5-4-16(8-19(18)32-22)20(30)29-7-6-23-15(2)13-29;1-15(11-22-20-23-13-16(30-2)14-24-20)12-25-21-26-18-7-6-17(10-19(18)31-21)32(28,29)27-8-4-3-5-9-27;1-4-30-18(27)12-25-33(28,29)15-5-6-16-17(7-15)32-20(26-16)24-9-13(2)8-21-19-22-10-14(31-3)11-23-19;1-14(10-21-19-22-12-15(30-2)13-23-19)11-24-20-25-17-4-3-16(9-18(17)31-20)32(27,28)26-5-7-29-8-6-26;1-13(7-21-19-22-9-15(29-3)10-23-19)8-24-20-25-17-5-4-16(6-18(17)30-20)31(27,28)26-11-14(2)12-26;1-11(7-19-16-20-9-12(26-3)10-21-16)8-22-17-23-14-5-4-13(6-15(14)27-17)28(24,25)18-2;1-11(7-19-16-20-9-12(25-2)10-21-16)8-22-17-23-14-5-4-13(27(3,18)24)6-15(14)26-17/h4-5,8,11-12,14-15,23H,6-7,9-10,13H2,1-3H3,(H,27,28)(H,24,25,26);6-7,10,13-15H,3-5,8-9,11-12H2,1-2H3,(H,25,26)(H,22,23,24);5-7,10-11,13,25H,4,8-9,12H2,1-3H3,(H,24,26)(H,21,22,23);3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,24,25)(H,21,22,23);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,24,25)(H,21,22,23);4-6,9-11,18H,7-8H2,1-3H3,(H,22,23)(H,19,20,21);4-6,9-11H,3,7-8H2,1-2H3,(H2,18,24)(H,22,23)(H,19,20,21)/t14-,15?;;;;;;11-,27?/m0.....0/s1/i6D2,7D2,13D2,15D
• InChIKey: BRAOSAQOZVKYIL-OUAULJSISA-N
• XLogP: 22.75
• TPSA: 754.55 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 65
• Rotatable Bonds: 64
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3316.61
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	65

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine?

The IUPAC name of (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine (CID 157435386) is (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine.

What is the SMILES notation for (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine?

The canonical SMILES for (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine is C=S(N)(=O)c1ccc2nc(NC[C@@H](C)CNc3ncc(SC)cn3)sc2c1.CCOC(=O)CNS(=O)(=O)c1ccc2nc(NCC(C)CNc3ncc(SC)cn3)sc2c1.CNS(=O)(=O)c1ccc2nc(NCC(C)CNc3ncc(SC)cn3)sc2c1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CC(C)C4)cc3s2)nc1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CCCCC4)cc3s2)nc1.CSc1cnc(NCC(C)CNc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3s2)nc1.[2H]C1([2H])NC([2H])(C)C([2H])([2H])N(C(=O)c2ccc3nc(NC[C@@H](C)CNc4ncc(SC)cn4)sc3c2)C1([2H])[2H].

What is the InChIKey of (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine?

The InChIKey is BRAOSAQOZVKYIL-OUAULJSISA-N. The full InChI is InChI=1S/C22H29N7OS2.C21H28N6O2S3.C20H26N6O4S3.C20H26N6O3S3.C20H26N6O2S3.C17H22N6O2S3.C17H22N6OS3/c1-14(9-24-21-25-11-17(31-3)12-26-21)10-27-22-28-18-5-4-16(8-19(18)32-22)20(30)29-7-6-23-15(2)13-29;1-15(11-22-20-23-13-16(30-2)14-24-20)12-25-21-26-18-7-6-17(10-19(18)31-21)32(28,29)27-8-4-3-5-9-27;1-4-30-18(27)12-25-33(28,29)15-5-6-16-17(7-15)32-20(26-16)24-9-13(2)8-21-19-22-10-14(31-3)11-23-19;1-14(10-21-19-22-12-15(30-2)13-23-19)11-24-20-25-17-4-3-16(9-18(17)31-20)32(27,28)26-5-7-29-8-6-26;1-13(7-21-19-22-9-15(29-3)10-23-19)8-24-20-25-17-5-4-16(6-18(17)30-20)31(27,28)26-11-14(2)12-26;1-11(7-19-16-20-9-12(26-3)10-21-16)8-22-17-23-14-5-4-13(6-15(14)27-17)28(24,25)18-2;1-11(7-19-16-20-9-12(25-2)10-21-16)8-22-17-23-14-5-4-13(27(3,18)24)6-15(14)26-17/h4-5,8,11-12,14-15,23H,6-7,9-10,13H2,1-3H3,(H,27,28)(H,24,25,26);6-7,10,13-15H,3-5,8-9,11-12H2,1-2H3,(H,25,26)(H,22,23,24);5-7,10-11,13,25H,4,8-9,12H2,1-3H3,(H,24,26)(H,21,22,23);3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,24,25)(H,21,22,23);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,24,25)(H,21,22,23);4-6,9-11,18H,7-8H2,1-3H3,(H,22,23)(H,19,20,21);4-6,9-11H,3,7-8H2,1-2H3,(H2,18,24)(H,22,23)(H,19,20,21)/t14-,15?;;;;;;11-,27?/m0.....0/s1/i6D2,7D2,13D2,15D;;;;;;.

What are the key properties of (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine?

(2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine has a molecular weight of 3316.61 g/mol, XLogP of 22.75, 64 rotatable bonds, 18 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[6-(amino-methylidene-oxo-λ6-sulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;ethyl 2-[[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]sulfonylamino]acetate;(2,2,3,3,5,6,6-heptadeuterio-5-methylpiperazin-1-yl)-[2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanone;2-methyl-N-[6-(3-methylazetidin-1-yl)sulfonyl-1,3-benzothiazol-2-yl]-N'-(5-methylsulfanylpyrimidin-2-yl)propane-1,3-diamine;N-methyl-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfonamide;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine;2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 157435386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).