1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone

C158H182N26O11S20 — CID 159151428

IUPAC1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCCCO)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCc1ccc2nc(C3=N[C@@H](C(=O)NC)CS3)sc2c1.CCCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CNC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1
InChIInChI=1S/C19H25N3OS2.C17H20N2OS2.C16H20N4OS2.C16H19N3OS2.C16H18N2O2S2.C16H18N2OS2.C15H17N3OS2.C15H16N2OS2.C14H15N3OS2.C14H14N2OS2/c1-4-9-20-17(23)15-11-24-18(22-15)19-21-14-8-7-13(6-5-12(2)3)10-16(14)25-19;1-10(2)4-5-12-6-7-13-15(8-12)22-17(18-13)16-19-14(9-21-16)11(3)20;1-4-7-17-14(21)12-9-22-15(19-12)16-18-11-6-5-10(20(2)3)8-13(11)23-16;1-9(2)6-10-4-5-11-13(7-10)22-16(18-11)15-19-12(8-21-15)14(20)17-3;1-10(20)13-9-21-15(18-13)16-17-12-6-5-11(4-2-3-7-19)8-14(12)22-16;1-9(2)6-11-4-5-12-14(7-11)21-16(17-12)15-18-13(8-20-15)10(3)19;1-3-4-9-5-6-10-12(7-9)21-15(17-10)14-18-11(8-20-14)13(19)16-2;1-3-4-10-5-6-11-13(7-10)20-15(16-11)14-17-12(8-19-14)9(2)18;1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14;1-3-9-4-5-10-12(6-9)19-14(15-10)13-16-11(7-18-13)8(2)17/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,20,23);6-8,10,14H,4-5,9H2,1-3H3;5-6,8,12H,4,7,9H2,1-3H3,(H,17,21);4-5,7,9,12H,6,8H2,1-3H3,(H,17,20);5-6,8,13,19H,2-4,7,9H2,1H3;4-5,7,9,13H,6,8H2,1-3H3;5-7,11H,3-4,8H2,1-2H3,(H,16,19);5-7,12H,3-4,8H2,1-2H3;4-6,11H,7H2,1-3H3;4-6,11H,3,7H2,1-2H3/t15-;14-;2*12-;2*13-;11-;12-;2*11-/m1111111111/s1
InChIKeyKJINWBBHOVHXBK-BISPORAZSA-N
MW3262.70 g/mol
LogP34.15
Rot. Bonds45

About 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone

1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone (PubChem CID 159151428) has the molecular formula C158H182N26O11S20 and a molecular weight of 3262.70 g/mol. Its IUPAC name is 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone
PubChem CID159151428
Molecular FormulaC158H182N26O11S20
Molecular Weight3262.70 g/mol
Exact Mass3258.89
IUPAC Name1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCCCO)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCc1ccc2nc(C3=N[C@@H](C(=O)NC)CS3)sc2c1.CCCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CNC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1
InChIInChI=1S/C19H25N3OS2.C17H20N2OS2.C16H20N4OS2.C16H19N3OS2.C16H18N2O2S2.C16H18N2OS2.C15H17N3OS2.C15H16N2OS2.C14H15N3OS2.C14H14N2OS2/c1-4-9-20-17(23)15-11-24-18(22-15)19-21-14-8-7-13(6-5-12(2)3)10-16(14)25-19;1-10(2)4-5-12-6-7-13-15(8-12)22-17(18-13)16-19-14(9-21-16)11(3)20;1-4-7-17-14(21)12-9-22-15(19-12)16-18-11-6-5-10(20(2)3)8-13(11)23-16;1-9(2)6-10-4-5-11-13(7-10)22-16(18-11)15-19-12(8-21-15)14(20)17-3;1-10(20)13-9-21-15(18-13)16-17-12-6-5-11(4-2-3-7-19)8-14(12)22-16;1-9(2)6-11-4-5-12-14(7-11)21-16(17-12)15-18-13(8-20-15)10(3)19;1-3-4-9-5-6-10-12(7-9)21-15(17-10)14-18-11(8-20-14)13(19)16-2;1-3-4-10-5-6-11-13(7-10)20-15(16-11)14-17-12(8-19-14)9(2)18;1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14;1-3-9-4-5-10-12(6-9)19-14(15-10)13-16-11(7-18-13)8(2)17/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,20,23);6-8,10,14H,4-5,9H2,1-3H3;5-6,8,12H,4,7,9H2,1-3H3,(H,17,21);4-5,7,9,12H,6,8H2,1-3H3,(H,17,20);5-6,8,13,19H,2-4,7,9H2,1H3;4-5,7,9,13H,6,8H2,1-3H3;5-7,11H,3-4,8H2,1-2H3,(H,16,19);5-7,12H,3-4,8H2,1-2H3;4-6,11H,7H2,1-3H3;4-6,11H,3,7H2,1-2H3/t15-;14-;2*12-;2*13-;11-;12-;2*11-/m1111111111/s1
InChIKeyKJINWBBHOVHXBK-BISPORAZSA-N
XLogP34.15
TPSA498.03 Ų
H-Bond Donors5
H-Bond Acceptors53
Rotatable Bonds45
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003262.70
LogP ≤ 534.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone (CID 159151428) is 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone is CC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(CCCCO)cc3s2)=N1.CC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(CCC(C)C)cc3s2)=N1.CCCNC(=O)[C@H]1CSC(c2nc3ccc(N(C)C)cc3s2)=N1.CCCc1ccc2nc(C3=N[C@@H](C(=O)NC)CS3)sc2c1.CCCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CCc1ccc2nc(C3=N[C@@H](C(C)=O)CS3)sc2c1.CNC(=O)[C@H]1CSC(c2nc3ccc(CC(C)C)cc3s2)=N1.
What is the InChIKey of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
The InChIKey is KJINWBBHOVHXBK-BISPORAZSA-N. The full InChI is InChI=1S/C19H25N3OS2.C17H20N2OS2.C16H20N4OS2.C16H19N3OS2.C16H18N2O2S2.C16H18N2OS2.C15H17N3OS2.C15H16N2OS2.C14H15N3OS2.C14H14N2OS2/c1-4-9-20-17(23)15-11-24-18(22-15)19-21-14-8-7-13(6-5-12(2)3)10-16(14)25-19;1-10(2)4-5-12-6-7-13-15(8-12)22-17(18-13)16-19-14(9-21-16)11(3)20;1-4-7-17-14(21)12-9-22-15(19-12)16-18-11-6-5-10(20(2)3)8-13(11)23-16;1-9(2)6-10-4-5-11-13(7-10)22-16(18-11)15-19-12(8-21-15)14(20)17-3;1-10(20)13-9-21-15(18-13)16-17-12-6-5-11(4-2-3-7-19)8-14(12)22-16;1-9(2)6-11-4-5-12-14(7-11)21-16(17-12)15-18-13(8-20-15)10(3)19;1-3-4-9-5-6-10-12(7-9)21-15(17-10)14-18-11(8-20-14)13(19)16-2;1-3-4-10-5-6-11-13(7-10)20-15(16-11)14-17-12(8-19-14)9(2)18;1-8(18)11-7-19-13(16-11)14-15-10-5-4-9(17(2)3)6-12(10)20-14;1-3-9-4-5-10-12(6-9)19-14(15-10)13-16-11(7-18-13)8(2)17/h7-8,10,12,15H,4-6,9,11H2,1-3H3,(H,20,23);6-8,10,14H,4-5,9H2,1-3H3;5-6,8,12H,4,7,9H2,1-3H3,(H,17,21);4-5,7,9,12H,6,8H2,1-3H3,(H,17,20);5-6,8,13,19H,2-4,7,9H2,1H3;4-5,7,9,13H,6,8H2,1-3H3;5-7,11H,3-4,8H2,1-2H3,(H,16,19);5-7,12H,3-4,8H2,1-2H3;4-6,11H,7H2,1-3H3;4-6,11H,3,7H2,1-2H3/t15-;14-;2*12-;2*13-;11-;12-;2*11-/m1111111111/s1.
What are the key properties of 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone?
1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone has a molecular weight of 3262.70 g/mol, XLogP of 34.15, 45 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-(6-ethyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(4-hydroxybutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;(4S)-2-[6-(3-methylbutyl)-1,3-benzothiazol-2-yl]-N-propyl-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxamide;(4S)-N-methyl-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxamide;1-[(4S)-2-[6-(2-methylpropyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone;1-[(4S)-2-(6-propyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 159151428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).