6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide

C139H160N32O7S2 — CID 159564651

About 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide

6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 159564651) has the molecular formula C139H160N32O7S2 and a molecular weight of 2455.16 g/mol. Its IUPAC name is 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

• Compound Name: 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide
• PubChem CID: 159564651
• Molecular Formula: C139H160N32O7S2
• Molecular Weight: 2455.16 g/mol
• Exact Mass: 2453.26
• IUPAC Name: 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide
• SMILES: COc1cc(C)c(C)c(S(N)(=O)=O)c1.Cc1cc2c(cc1C)C(N)=NC2.Cc1cc2c(cc1C)C(N)=NC2.Cc1cc2c(cc1C)C(N)=NOC2.Cc1cc2c(cc1C)C(N)=NSC2.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2cnnc(N)c2cc1C.Cc1cc2cnnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1C
• InChI: InChI=1S/2C11H12N2.C10H11N3O.4C10H11N3.C10H12N2O.C10H12N2S.2C10H12N2.2C9H10N2O.C9H13NO3S/c2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-3-4-8(5-7(6)2)9-11-10(14)13-12-9;2*1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;2*1-6-3-8-5-12-13-10(11)9(8)4-7(6)2;2*1-6-3-8-5-13-12-10(11)9(8)4-7(6)2;2*1-6-3-8-5-12-10(11)9(8)4-7(6)2;2*1-5-3-7-8(4-6(5)2)12-11-9(7)10;1-6-4-8(13-3)5-9(7(6)2)14(10,11)12/h2*3-6H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,11,12,13,14);2*3-5H,1-2H3,(H2,11,12,13);2*3-5H,1-2H3,(H2,11,13);2*3-4H,5H2,1-2H3,(H2,11,12);2*3-4H,5H2,1-2H3,(H2,11,12);2*3-4H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,10,11,12)
• InChIKey: MHAVLSOLWIKFQA-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 682.80 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 3
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.16
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide?

The IUPAC name of 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide (CID 159564651) is 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide.

What is the SMILES notation for 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide?

The canonical SMILES for 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide is COc1cc(C)c(C)c(S(N)(=O)=O)c1.Cc1cc2c(cc1C)C(N)=NC2.Cc1cc2c(cc1C)C(N)=NC2.Cc1cc2c(cc1C)C(N)=NOC2.Cc1cc2c(cc1C)C(N)=NSC2.Cc1cc2ccnc(N)c2cc1C.Cc1cc2ccnc(N)c2cc1C.Cc1cc2cnnc(N)c2cc1C.Cc1cc2cnnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2ncnc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1cc2onc(N)c2cc1C.Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1C.

What is the InChIKey of 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide?

The InChIKey is MHAVLSOLWIKFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12N2.C10H11N3O.4C10H11N3.C10H12N2O.C10H12N2S.2C10H12N2.2C9H10N2O.C9H13NO3S/c2*1-7-5-9-3-4-13-11(12)10(9)6-8(7)2;1-6-3-4-8(5-7(6)2)9-11-10(14)13-12-9;2*1-6-3-8-9(4-7(6)2)12-5-13-10(8)11;2*1-6-3-8-5-12-13-10(11)9(8)4-7(6)2;2*1-6-3-8-5-13-12-10(11)9(8)4-7(6)2;2*1-6-3-8-5-12-10(11)9(8)4-7(6)2;2*1-5-3-7-8(4-6(5)2)12-11-9(7)10;1-6-4-8(13-3)5-9(7(6)2)14(10,11)12/h2*3-6H,1-2H3,(H2,12,13);3-5H,1-2H3,(H2,11,12,13,14);2*3-5H,1-2H3,(H2,11,12,13);2*3-5H,1-2H3,(H2,11,13);2*3-4H,5H2,1-2H3,(H2,11,12);2*3-4H,5H2,1-2H3,(H2,11,12);2*3-4H,1-2H3,(H2,10,11);4-5H,1-3H3,(H2,10,11,12).

What are the key properties of 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide?

6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 2455.16 g/mol, XLogP of 25.25, 3 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-1H-2,3-benzothiazin-4-amine;6,7-dimethyl-1H-2,3-benzoxazin-4-amine;bis(5,6-dimethyl-1,2-benzoxazol-3-amine);bis(5,6-dimethyl-3H-isoindol-1-amine);bis(6,7-dimethylisoquinolin-1-amine);3-(3,4-dimethylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;bis(6,7-dimethylphthalazin-1-amine);bis(6,7-dimethylquinazolin-4-amine);5-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 159564651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).