(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide

C84H127FN20O11S — CID 159474257

IUPAC(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2cc(CN(C)C)ccc2n1C)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccc(CF)cc2[nH]1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2o1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2s1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ncccc2[nH]1)N(C)C
InChIInChI=1S/C20H33N5O2.C17H25FN4O2.C16H23N3O3.C16H23N3O2S.C15H23N5O2/c1-13(19(26)18(24(5)6)20(27)21-2)10-17-22-15-11-14(12-23(3)4)8-9-16(15)25(17)7;1-10(16(23)15(22(3)4)17(24)19-2)7-14-20-12-6-5-11(9-18)8-13(12)21-14;2*1-10(15(20)14(19(3)4)16(21)17-2)9-13-18-11-7-5-6-8-12(11)22-13;1-9(13(21)12(20(3)4)15(22)16-2)8-11-18-10-6-5-7-17-14(10)19-11/h8-9,11,13,18-19,26H,10,12H2,1-7H3,(H,21,27);5-6,8,10,15-16,23H,7,9H2,1-4H3,(H,19,24)(H,20,21);2*5-8,10,14-15,20H,9H2,1-4H3,(H,17,21);5-7,9,12-13,21H,8H2,1-4H3,(H,16,22)(H,17,18,19)/t13-,18-,19-;10-,15-,16-;2*10-,14-,15-;9-,12-,13-/m11111/s1
InChIKeyLWEJHWICRWFDFZ-ARNCKCCZSA-N
MW1644.13 g/mol
LogP4.83
Rot. Bonds33

About (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide

(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide (PubChem CID 159474257) has the molecular formula C84H127FN20O11S and a molecular weight of 1644.13 g/mol. Its IUPAC name is (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide
PubChem CID159474257
Molecular FormulaC84H127FN20O11S
Molecular Weight1644.13 g/mol
Exact Mass1642.97
IUPAC Name(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2cc(CN(C)C)ccc2n1C)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccc(CF)cc2[nH]1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2o1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2s1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ncccc2[nH]1)N(C)C
InChIInChI=1S/C20H33N5O2.C17H25FN4O2.C16H23N3O3.C16H23N3O2S.C15H23N5O2/c1-13(19(26)18(24(5)6)20(27)21-2)10-17-22-15-11-14(12-23(3)4)8-9-16(15)25(17)7;1-10(16(23)15(22(3)4)17(24)19-2)7-14-20-12-6-5-11(9-18)8-13(12)21-14;2*1-10(15(20)14(19(3)4)16(21)17-2)9-13-18-11-7-5-6-8-12(11)22-13;1-9(13(21)12(20(3)4)15(22)16-2)8-11-18-10-6-5-7-17-14(10)19-11/h8-9,11,13,18-19,26H,10,12H2,1-7H3,(H,21,27);5-6,8,10,15-16,23H,7,9H2,1-4H3,(H,19,24)(H,20,21);2*5-8,10,14-15,20H,9H2,1-4H3,(H,17,21);5-7,9,12-13,21H,8H2,1-4H3,(H,16,22)(H,17,18,19)/t13-,18-,19-;10-,15-,16-;2*10-,14-,15-;9-,12-,13-/m11111/s1
InChIKeyLWEJHWICRWFDFZ-ARNCKCCZSA-N
XLogP4.83
TPSA393.08 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001644.13
LogP ≤ 54.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide with MolForge

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Related Compounds

2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;2-fluoro-2-methyl-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 157089632
1-[5-(1,3-benzoxazol-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea;1-[5-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87418994
N-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazol-1-yl]but-2-enyl]imidazo[4,5-b]pyridin-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide
CID 155786876
2-[2-(1H-benzimidazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-[2-(1,3-benzothiazol-2-yl)ethyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzothiazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(1,3-benzoxazol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2-(3H-indol-2-ylmethyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexa-2,5-diene-1,4-dione;2,3,5-trimethyl-6-(3H-pyrrol-2-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 157074433
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1,3-benzothiazole;2,6-ditert-butyl-1,3-benzoxazole;2,6-ditert-butylimidazo[1,2-a]pyridine;methane
CID 157141545
1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-one;1-(1,3-benzoxazol-2-yl)-2-methylpropan-1-one;ethane;1-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-one;1-(2H-imidazo[1,2-b]pyridazin-4-ium-2-yl)-2-methylpropan-1-one;1-(3H-indol-2-yl)-2-methylpropan-1-one
CID 157293504
6-tert-butyl-1H-benzimidazole;6-tert-butyl-3H-benzo[f]isoindol-1-amine;6-tert-butyl-3H-benzo[f]isoindole-1-carboxamide;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;[5-tert-butyl-2-(hydroxymethyl)-3-methoxyphenyl]methanol;2-tert-butyl-1H-indene;2-tert-butyl-3H-indole;7-tert-butyl-1-methylbenzo[e]benzimidazole;7-tert-butyl-1-propan-2-ylbenzo[e]benzimidazole;6-tert-butylquinoline;methane
CID 157403960
4,5-diphenyl-2-propan-2-yl-1H-imidazole;1-methyl-2-propan-2-ylbenzimidazole;1-methyl-2-propan-2-ylimidazole;4-phenyl-2-propan-2-yl-1H-benzimidazole;6-phenyl-2-propan-2-yl-1H-benzimidazole;7-phenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-phenyl-2-propan-2-yl-1H-imidazo[4,5-c]pyridine;7-phenyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine;5-phenyl-2-propan-2-yl-1H-imidazole;6-phenyl-8-propan-2-yl-7H-purine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;toluene
CID 157412447
(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-[(dimethylamino)methyl]-3-methyl-1H-benzimidazol-3-ium-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-N,4-dimethyl-5-(6-sulfamoyl-1H-benzimidazol-2-yl)pentanamide
CID 157439641
N-[5-carbamoyl-1-[(E)-4-[6-carbamoyl-2-(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)imino-4-methoxy-1,3-benzothiazol-3-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide;N-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazol-1-yl]but-2-enyl]imidazo[4,5-b]pyridin-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide;N-[5-carbamoyl-1-[(E)-4-[6-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 158017099
1,2-di(propan-2-yl)benzimidazole;2,5-di(propan-2-yl)-1H-imidazole;tetrakis(2-methylpropane);2-methyl-N-propan-2-ylpropanamide;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole
CID 158131261
N-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)benzimidazol-1-yl]but-2-enyl]imidazo[4,5-b]pyridin-2-yl]-4-ethyl-2-methyl-1,3-oxazole-5-carboxamide;N-[5-carbamoyl-1-[(E)-4-[6-carbamoyl-2-[(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-7-(3-hydroxypropoxy)benzimidazol-2-yl]-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 158206418

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide?
The IUPAC name of (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide (CID 159474257) is (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide?
The canonical SMILES for (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide is CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2cc(CN(C)C)ccc2n1C)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccc(CF)cc2[nH]1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2o1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ccccc2s1)N(C)C.CNC(=O)[C@@H]([C@H](O)[C@H](C)Cc1nc2ncccc2[nH]1)N(C)C.
What is the InChIKey of (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide?
The InChIKey is LWEJHWICRWFDFZ-ARNCKCCZSA-N. The full InChI is InChI=1S/C20H33N5O2.C17H25FN4O2.C16H23N3O3.C16H23N3O2S.C15H23N5O2/c1-13(19(26)18(24(5)6)20(27)21-2)10-17-22-15-11-14(12-23(3)4)8-9-16(15)25(17)7;1-10(16(23)15(22(3)4)17(24)19-2)7-14-20-12-6-5-11(9-18)8-13(12)21-14;2*1-10(15(20)14(19(3)4)16(21)17-2)9-13-18-11-7-5-6-8-12(11)22-13;1-9(13(21)12(20(3)4)15(22)16-2)8-11-18-10-6-5-7-17-14(10)19-11/h8-9,11,13,18-19,26H,10,12H2,1-7H3,(H,21,27);5-6,8,10,15-16,23H,7,9H2,1-4H3,(H,19,24)(H,20,21);2*5-8,10,14-15,20H,9H2,1-4H3,(H,17,21);5-7,9,12-13,21H,8H2,1-4H3,(H,16,22)(H,17,18,19)/t13-,18-,19-;10-,15-,16-;2*10-,14-,15-;9-,12-,13-/m11111/s1.
What are the key properties of (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide?
(2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide has a molecular weight of 1644.13 g/mol, XLogP of 4.83, 33 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(1,3-benzothiazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-5-(1,3-benzoxazol-2-yl)-2-(dimethylamino)-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[5-[(dimethylamino)methyl]-1-methylbenzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-5-[6-(fluoromethyl)-1H-benzimidazol-2-yl]-3-hydroxy-N,4-dimethylpentanamide;(2R,3R,4R)-2-(dimethylamino)-3-hydroxy-5-(1H-imidazo[4,5-b]pyridin-2-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 159474257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).