N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane

C90H143F2IN12O22S2 — CID 159947321

About N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane

N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane (PubChem CID 159947321) has the molecular formula C90H143F2IN12O22S2 and a molecular weight of 1974.23 g/mol. Its IUPAC name is N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane.

Molecular Properties

• Compound Name: N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane
• PubChem CID: 159947321
• Molecular Formula: C90H143F2IN12O22S2
• Molecular Weight: 1974.23 g/mol
• Exact Mass: 1972.89
• IUPAC Name: N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane
• SMILES: C.C.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OCC(=NOCc3ccc(-c4nc(N)cs4)cn3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC)[C@@]2(C)C[C@@H](C)/C(=N\C)[C@H](C)[C@@H](OCC(=O)CO2)[C@]1(C)O.CI.NOCc1ccc(-c2nc(N)cs2)cn1
• InChI: InChI=1S/C44H65FN6O11S.C34H57FN2O10.C9H10N4OS.CH3I.2CH4/c1-12-31-44(9,56)38-25(5)34(49-33(52)13-2)23(3)17-42(7,58-20-29(19-57-38)50-59-21-28-15-14-27(18-47-28)39-48-32(46)22-63-39)37(26(6)36(54)43(8,45)41(55)61-31)62-40-35(53)30(51(10)11)16-24(4)60-40;1-13-24-34(8,41)29-20(4)25(36-9)18(2)15-32(6,44-17-22(38)16-43-29)28(21(5)27(39)33(7,35)31(40)46-24)47-30-26(42-12)23(37(10)11)14-19(3)45-30;10-8-5-15-9(13-8)6-1-2-7(4-14-11)12-3-6;1-2;;/h14-15,18,22-26,30-31,35,37-38,40,53,56H,12-13,16-17,19-21,46H2,1-11H3;18-21,23-24,26,28-30,41H,13-17H2,1-12H3;1-3,5H,4,10-11H2;1H3;2*1H4/b49-34+,50-29?;36-25+;;;;/t23-,24-,25+,26+,30+,31-,35-,37-,38-,40+,42-,43+,44-;18-,19-,20+,21+,23+,24-,26-,28-,29-,30+,32-,33+,34-;;;;/m11..../s1
• InChIKey: OBQQOEJLWFNGMH-VWRFBIMYSA-N
• XLogP: 11.15
• TPSA: 456.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1974.23
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane?

The IUPAC name of N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane (CID 159947321) is N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane.

What is the SMILES notation for N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane?

The canonical SMILES for N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane is C.C.CCC(=O)/N=C1\[C@H](C)C[C@@]2(C)OCC(=NOCc3ccc(-c4nc(N)cs4)cn3)CO[C@H]([C@H]1C)[C@](C)(O)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@H]2O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC)[C@@]2(C)C[C@@H](C)/C(=N\C)[C@H](C)[C@@H](OCC(=O)CO2)[C@]1(C)O.CI.NOCc1ccc(-c2nc(N)cs2)cn1.

What is the InChIKey of N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane?

The InChIKey is OBQQOEJLWFNGMH-VWRFBIMYSA-N. The full InChI is InChI=1S/C44H65FN6O11S.C34H57FN2O10.C9H10N4OS.CH3I.2CH4/c1-12-31-44(9,56)38-25(5)34(49-33(52)13-2)23(3)17-42(7,58-20-29(19-57-38)50-59-21-28-15-14-27(18-47-28)39-48-32(46)22-63-39)37(26(6)36(54)43(8,45)41(55)61-31)62-40-35(53)30(51(10)11)16-24(4)60-40;1-13-24-34(8,41)29-20(4)25(36-9)18(2)15-32(6,44-17-22(38)16-43-29)28(21(5)27(39)33(7,35)31(40)46-24)47-30-26(42-12)23(37(10)11)14-19(3)45-30;10-8-5-15-9(13-8)6-1-2-7(4-14-11)12-3-6;1-2;;/h14-15,18,22-26,30-31,35,37-38,40,53,56H,12-13,16-17,19-21,46H2,1-11H3;18-21,23-24,26,28-30,41H,13-17H2,1-12H3;1-3,5H,4,10-11H2;1H3;2*1H4/b49-34+,50-29?;36-25+;;;;/t23-,24-,25+,26+,30+,31-,35-,37-,38-,40+,42-,43+,44-;18-,19-,20+,21+,23+,24-,26-,28-,29-,30+,32-,33+,34-;;;;/m11..../s1.

What are the key properties of N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane?

N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane has a molecular weight of 1974.23 g/mol, XLogP of 11.15, 17 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R,3R,6S,8R,9R,10R,16S,18R)-13-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide;O-[[5-(4-amino-1,3-thiazol-2-yl)-2-pyridinyl]methyl]hydroxylamine;(1R,2R,3R,6S,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-17-methylimino-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7,13-trione;iodomethane;methane is sourced from PubChem (CID 159947321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).