sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride

C68H93Cl5N11NaO22S6 — CID 164973632

IUPACsodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride
SMILESCCN(CC)CC.CCOC(C)=O.CN(CC(=O)O)C(=O)OC(C)(C)C.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CNCC(=O)Cc1ccccc1.CO.COC(=O)c1sc(Cl)cc1S(=O)(=O)Cl.COC(=O)c1sc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccn1.C[O-].Cl.Nc1ccccn1.[Na+]
InChIInChI=1S/C14H14ClN3O5S2.C13H10ClN3O4S2.C10H13NO.C8H15NO4.C6H4Cl2O4S2.C6H15N.C5H6N2.C4H8O2.CH4O.CH3O.ClH.Na/c1-18(8-12(19)17-11-5-3-4-6-16-11)25(21,22)9-7-10(15)24-13(9)14(20)23-2;1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12;1-11-8-10(12)7-9-5-3-2-4-6-9;1-8(2,3)13-7(12)9(4)5-6(10)11;1-12-6(9)5-3(14(8,10)11)2-4(7)13-5;1-4-7(5-2)6-3;6-5-3-1-2-4-7-5;1-3-6-4(2)5;2*1-2;;/h3-7H,8H2,1-2H3,(H,16,17,19);2-6,18H,1H3,(H,15,16,19);2-6,11H,7-8H2,1H3;5H2,1-4H3,(H,10,11);2H,1H3;4-6H2,1-3H3;1-4H,(H2,6,7);3H2,1-2H3;2H,1H3;1H3;1H;/q;;;;;;;;;-1;;+1
InChIKeyOOOXVYGCBUGOJA-UHFFFAOYSA-N
MW1809.20 g/mol
LogP6.80
Rot. Bonds20

About sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride

sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride (PubChem CID 164973632) has the molecular formula C68H93Cl5N11NaO22S6 and a molecular weight of 1809.20 g/mol. Its IUPAC name is sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Namesodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride
PubChem CID164973632
Molecular FormulaC68H93Cl5N11NaO22S6
Molecular Weight1809.20 g/mol
Exact Mass1805.32
IUPAC Namesodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride
SMILESCCN(CC)CC.CCOC(C)=O.CN(CC(=O)O)C(=O)OC(C)(C)C.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CNCC(=O)Cc1ccccc1.CO.COC(=O)c1sc(Cl)cc1S(=O)(=O)Cl.COC(=O)c1sc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccn1.C[O-].Cl.Nc1ccccn1.[Na+]
InChIInChI=1S/C14H14ClN3O5S2.C13H10ClN3O4S2.C10H13NO.C8H15NO4.C6H4Cl2O4S2.C6H15N.C5H6N2.C4H8O2.CH4O.CH3O.ClH.Na/c1-18(8-12(19)17-11-5-3-4-6-16-11)25(21,22)9-7-10(15)24-13(9)14(20)23-2;1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12;1-11-8-10(12)7-9-5-3-2-4-6-9;1-8(2,3)13-7(12)9(4)5-6(10)11;1-12-6(9)5-3(14(8,10)11)2-4(7)13-5;1-4-7(5-2)6-3;6-5-3-1-2-4-7-5;1-3-6-4(2)5;2*1-2;;/h3-7H,8H2,1-2H3,(H,16,17,19);2-6,18H,1H3,(H,15,16,19);2-6,11H,7-8H2,1H3;5H2,1-4H3,(H,10,11);2H,1H3;4-6H2,1-3H3;1-4H,(H2,6,7);3H2,1-2H3;2H,1H3;1H3;1H;/q;;;;;;;;;-1;;+1
InChIKeyOOOXVYGCBUGOJA-UHFFFAOYSA-N
XLogP6.80
TPSA473.39 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.20
LogP ≤ 56.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

6-aminopyridine-3-carboxylic acid;4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide;6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid;methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;propan-1-amine
CID 160828069
bis(6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide);methane;4-methylbenzenesulfonic acid;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;pyridin-2-amine
CID 164997625
lithium;sodium;butane;carbon dioxide;5-chloro-3-ethylsulfonylthiophene-2-carboxylic acid;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;2,5-dichloro-N-methylthiophene-3-sulfinamide;2,5-dichlorothiophene;2,5-dichlorothiophene-3-sulfonyl chloride;methanamine;methanol;methanolate;methyl 2-bromoacetate;methyl 5-chloro-3-ethylsulfonylthiophene-2-carboxylate;methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate;methyl 5-chloro-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]thiophene-2-carboxylate;pentachloro-lambda5-phosphane;pyridin-2-amine;sulfurochloridic acid
CID 165057816

Frequently Asked Questions

What is the IUPAC name of sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride?
The IUPAC name of sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride (CID 164973632) is sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride.
What is the SMILES notation for sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride?
The canonical SMILES for sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride is CCN(CC)CC.CCOC(C)=O.CN(CC(=O)O)C(=O)OC(C)(C)C.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CNCC(=O)Cc1ccccc1.CO.COC(=O)c1sc(Cl)cc1S(=O)(=O)Cl.COC(=O)c1sc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccn1.C[O-].Cl.Nc1ccccn1.[Na+].
What is the InChIKey of sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride?
The InChIKey is OOOXVYGCBUGOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S2.C13H10ClN3O4S2.C10H13NO.C8H15NO4.C6H4Cl2O4S2.C6H15N.C5H6N2.C4H8O2.CH4O.CH3O.ClH.Na/c1-18(8-12(19)17-11-5-3-4-6-16-11)25(21,22)9-7-10(15)24-13(9)14(20)23-2;1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12;1-11-8-10(12)7-9-5-3-2-4-6-9;1-8(2,3)13-7(12)9(4)5-6(10)11;1-12-6(9)5-3(14(8,10)11)2-4(7)13-5;1-4-7(5-2)6-3;6-5-3-1-2-4-7-5;1-3-6-4(2)5;2*1-2;;/h3-7H,8H2,1-2H3,(H,16,17,19);2-6,18H,1H3,(H,15,16,19);2-6,11H,7-8H2,1H3;5H2,1-4H3,(H,10,11);2H,1H3;4-6H2,1-3H3;1-4H,(H2,6,7);3H2,1-2H3;2H,1H3;1H3;1H;/q;;;;;;;;;-1;;+1.
What are the key properties of sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride?
sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride has a molecular weight of 1809.20 g/mol, XLogP of 6.80, 20 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;N,N-diethylethanamine;ethyl acetate;methanol;methanolate;1-(methylamino)-3-phenylpropan-2-one;methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate;methyl 5-chloro-3-[methyl-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfamoyl]thiophene-2-carboxylate;2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;pyridin-2-amine;hydrochloride is sourced from PubChem (CID 164973632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).