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

C48H46Cl3N9O16S7 — CID 164997625

About 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

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 (PubChem CID 164997625) has the molecular formula C48H46Cl3N9O16S7 and a molecular weight of 1335.77 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 164997625
• Molecular Formula: C48H46Cl3N9O16S7
• Molecular Weight: 1335.77 g/mol
• Exact Mass: 1333.02
• IUPAC Name: 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
• SMILES: C.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.COC(=O)C1=C(O)c2sc(Cl)cc2S(=O)(=O)N1C.Cc1ccc(S(=O)(=O)O)cc1.Nc1ccccn1
• InChI: InChI=1S/2C13H10ClN3O4S2.C9H8ClNO5S2.C7H8O3S.C5H6N2.CH4/c2*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;1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8;1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5;/h2*2-6,18H,1H3,(H,15,16,19);3,12H,1-2H3;2-5H,1H3,(H,8,9,10);1-4H,(H2,6,7);1H4
• InChIKey: CVDAGOCCDHGTHP-UHFFFAOYSA-N
• XLogP: 8.57
• TPSA: 376.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1335.77
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.COC(=O)C1=C(O)c2sc(Cl)cc2S(=O)(=O)N1C.Cc1ccc(S(=O)(=O)O)cc1.Nc1ccccn1.

What is the InChIKey of 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?

The InChIKey is CVDAGOCCDHGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10ClN3O4S2.C9H8ClNO5S2.C7H8O3S.C5H6N2.CH4/c2*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;1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8;1-6-2-4-7(5-3-6)11(8,9)10;6-5-3-1-2-4-7-5;/h2*2-6,18H,1H3,(H,15,16,19);3,12H,1-2H3;2-5H,1H3,(H,8,9,10);1-4H,(H2,6,7);1H4.

What are the key properties of 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?

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 has a molecular weight of 1335.77 g/mol, XLogP of 8.57, 6 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 164997625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).