1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol

C80H141Br2F5N10O13S2Si3 — CID 158261524

IUPAC1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol
SMILESCCC(C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CCCCCO.CCCCCOCBr.CCCCCOCN(C(=O)[C@@H](N=[N+]=[N-])C(C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)Oc1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)Br
InChIInChI=1S/C29H53N5O5SSi.C24H42N4O4SSi.C13H12F5NO2.C6H13BrO.C5H12O.C3H9BrSi/c1-10-15-16-17-38-20-34(28(35)26(32-33-30)22(8)11-2)24(21(6)7)18-25(39-41(12-3,13-4)14-5)27-31-23(19-40-27)29(36)37-9;1-9-17(7)22(27-28-25)20(29)13-18(16(5)6)14-21(32-34(10-2,11-3)12-4)23-26-19(15-33-23)24(30)31-8;1-19-5-3-2-4-6(19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18;1-2-3-4-5-8-6-7;1-2-3-4-5-6;1-5(2,3)4/h19,21-22,24-26H,10-18,20H2,1-9H3;15-18,21-22H,9-14H2,1-8H3;6H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;1-3H3/t22?,24-,25-,26+;17?,18-,21-,22+;6-;;;/m111.../s1
InChIKeyGHXRQJJQVLMIBL-UZDOXKPFSA-N
MW1854.25 g/mol
LogP24.17
Rot. Bonds47

About 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol

1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol (PubChem CID 158261524) has the molecular formula C80H141Br2F5N10O13S2Si3 and a molecular weight of 1854.25 g/mol. Its IUPAC name is 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol.

Molecular Properties

Compound Name1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol
PubChem CID158261524
Molecular FormulaC80H141Br2F5N10O13S2Si3
Molecular Weight1854.25 g/mol
Exact Mass1850.77
IUPAC Name1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol
SMILESCCC(C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CCCCCO.CCCCCOCBr.CCCCCOCN(C(=O)[C@@H](N=[N+]=[N-])C(C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)Oc1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)Br
InChIInChI=1S/C29H53N5O5SSi.C24H42N4O4SSi.C13H12F5NO2.C6H13BrO.C5H12O.C3H9BrSi/c1-10-15-16-17-38-20-34(28(35)26(32-33-30)22(8)11-2)24(21(6)7)18-25(39-41(12-3,13-4)14-5)27-31-23(19-40-27)29(36)37-9;1-9-17(7)22(27-28-25)20(29)13-18(16(5)6)14-21(32-34(10-2,11-3)12-4)23-26-19(15-33-23)24(30)31-8;1-19-5-3-2-4-6(19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18;1-2-3-4-5-8-6-7;1-2-3-4-5-6;1-5(2,3)4/h19,21-22,24-26H,10-18,20H2,1-9H3;15-18,21-22H,9-14H2,1-8H3;6H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;1-3H3/t22?,24-,25-,26+;17?,18-,21-,22+;6-;;;/m111.../s1
InChIKeyGHXRQJJQVLMIBL-UZDOXKPFSA-N
XLogP24.17
TPSA299.97 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds47
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001854.25
LogP ≤ 524.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol with MolForge

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Related Compounds

bis(benzyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate);benzyl 2-[(1R,3S,6S,7S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;benzyl 2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylate;dibutyl(oxo)tin;methyl 2-[(1R,3S,6S,7S)-6-azido-1-hydroxy-7-methyl-5-oxo-3-propan-2-ylnonyl]-1,3-thiazole-4-carboxylate;(2R)-1-methylpiperidine-2-carboxylic acid;phenylmethanol
CID 162226932
methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(butanoyloxymethyl)amino]-4-methyl-1-sulfanyloxypentyl]-1,3-thiazole-4-carboxylate
CID 126559878
2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carboxylic acid;(2S,4R)-6-[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazol-4-yl]-4-benzyl-2-methyl-6-oxohexanoic acid;N,N-diethylethanamine;(2,3,4,5,6-pentafluorophenyl) 2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carboxylate
CID 162146994
ethyl 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylate;2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide;methyl 2-[(1R,3R)-3-[[(3S)-2-azido-3-methylpentanoyl]-methylamino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;[(1R,3R)-4-methyl-1-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-3-[methyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]pentyl] acetate
CID 159850213
(2,3,4,5,6-pentafluorophenyl) 2-[1-methoxy-4-methyl-3-[[(3S)-3-methylpentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carboxylate
CID 126612594
(2,3,4,5,6-pentafluorophenyl) 2-[(1R,3R)-1-acetamido-3-[hexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carboxylate
CID 168968954
methyl 2-[(2R,4R)-4-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylate
CID 158477343
methyl 2-[(2R,4R)-4-[[(3S)-2-azido-3-methylpentanoyl]-(3-oxohexyl)amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylate
CID 118667923
CID 161309629
CID 161309629
2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carboxylic acid;methyl 2-[(2R,4R)-4-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylate
CID 158451914
2-[(2R,4R)-4-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylic acid;methane;methyl 2-[(2R,4R)-4-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[2-(1-methylpiperidin-2-yl)-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carboxylate
CID 159466692
2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-1-propan-2-yloxypentyl]-1,3-thiazole-4-carboxylic acid
CID 118303453

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol?
The IUPAC name of 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol (CID 158261524) is 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol.
What is the SMILES notation for 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol?
The canonical SMILES for 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol is CCC(C)[C@H](N=[N+]=[N-])C(=O)C[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CCCCCO.CCCCCOCBr.CCCCCOCN(C(=O)[C@@H](N=[N+]=[N-])C(C)CC)[C@H](C[C@@H](O[Si](CC)(CC)CC)c1nc(C(=O)OC)cs1)C(C)C.CN1CCCC[C@@H]1C(=O)Oc1c(F)c(F)c(F)c(F)c1F.C[Si](C)(C)Br.
What is the InChIKey of 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol?
The InChIKey is GHXRQJJQVLMIBL-UZDOXKPFSA-N. The full InChI is InChI=1S/C29H53N5O5SSi.C24H42N4O4SSi.C13H12F5NO2.C6H13BrO.C5H12O.C3H9BrSi/c1-10-15-16-17-38-20-34(28(35)26(32-33-30)22(8)11-2)24(21(6)7)18-25(39-41(12-3,13-4)14-5)27-31-23(19-40-27)29(36)37-9;1-9-17(7)22(27-28-25)20(29)13-18(16(5)6)14-21(32-34(10-2,11-3)12-4)23-26-19(15-33-23)24(30)31-8;1-19-5-3-2-4-6(19)13(20)21-12-10(17)8(15)7(14)9(16)11(12)18;1-2-3-4-5-8-6-7;1-2-3-4-5-6;1-5(2,3)4/h19,21-22,24-26H,10-18,20H2,1-9H3;15-18,21-22H,9-14H2,1-8H3;6H,2-5H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;1-3H3/t22?,24-,25-,26+;17?,18-,21-,22+;6-;;;/m111.../s1.
What are the key properties of 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol?
1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol has a molecular weight of 1854.25 g/mol, XLogP of 24.17, 47 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)pentane;bromo(trimethyl)silane;methyl 2-[(1R,3S,6S)-6-azido-7-methyl-5-oxo-3-propan-2-yl-1-triethylsilyloxynonyl]-1,3-thiazole-4-carboxylate;methyl 2-[(1R,3R)-3-[[(2S)-2-azido-3-methylpentanoyl]-(pentoxymethyl)amino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate;(2,3,4,5,6-pentafluorophenyl) (2R)-1-methylpiperidine-2-carboxylate;pentan-1-ol is sourced from PubChem (CID 158261524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).