6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate

C91H104F3N27O7S6 — CID 158092040

About 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate

6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate (PubChem CID 158092040) has the molecular formula C91H104F3N27O7S6 and a molecular weight of 1937.41 g/mol. Its IUPAC name is 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate.

Molecular Properties

• Compound Name: 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate
• PubChem CID: 158092040
• Molecular Formula: C91H104F3N27O7S6
• Molecular Weight: 1937.41 g/mol
• Exact Mass: 1935.69
• IUPAC Name: 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate
• SMILES: CN(C)S(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.CN1CCN(Cc2cnc[nH]2)c2ccccc21.COC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.FC(F)(F)c1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.O=[N+]([O-])c1ccc2c(c1)N(Cc1cnc[nH]1)CCCO2.c1ccc2c(c1)SCCN2Cc1cnc[nH]1
• InChI: InChI=1S/C14H19N5O2S2.C14H16N4O2S.C13H12F3N3S.C13H14N4O3.C13H16N4.C12H14N4S.C12H13N3S/c1-18(2)23(20,21)17-11-3-4-14-13(7-11)19(5-6-22-14)9-12-8-15-10-16-12;1-20-14(19)17-10-2-3-13-12(6-10)18(4-5-21-13)8-11-7-15-9-16-11;14-13(15,16)9-1-2-12-11(5-9)19(3-4-20-12)7-10-6-17-8-18-10;18-17(19)11-2-3-13-12(6-11)16(4-1-5-20-13)8-10-7-14-9-15-10;1-16-6-7-17(9-11-8-14-10-15-11)13-5-3-2-4-12(13)16;13-9-1-2-12-11(5-9)16(3-4-17-12)7-10-6-14-8-15-10;1-2-4-12-11(3-1)15(5-6-16-12)8-10-7-13-9-14-10/h3-4,7-8,10,17H,5-6,9H2,1-2H3,(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H,17,18);2-3,6-7,9H,1,4-5,8H2,(H,14,15);2-5,8,10H,6-7,9H2,1H3,(H,14,15);1-2,5-6,8H,3-4,7,13H2,(H,14,15);1-4,7,9H,5-6,8H2,(H,13,14)
• InChIKey: FOFKTCZXZCZDLB-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 392.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.41
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate?

The IUPAC name of 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate (CID 158092040) is 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate.

What is the SMILES notation for 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate?

The canonical SMILES for 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate is CN(C)S(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.CN1CCN(Cc2cnc[nH]2)c2ccccc21.COC(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.FC(F)(F)c1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCS2.O=[N+]([O-])c1ccc2c(c1)N(Cc1cnc[nH]1)CCCO2.c1ccc2c(c1)SCCN2Cc1cnc[nH]1.

What is the InChIKey of 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate?

The InChIKey is FOFKTCZXZCZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2.C14H16N4O2S.C13H12F3N3S.C13H14N4O3.C13H16N4.C12H14N4S.C12H13N3S/c1-18(2)23(20,21)17-11-3-4-14-13(7-11)19(5-6-22-14)9-12-8-15-10-16-12;1-20-14(19)17-10-2-3-13-12(6-10)18(4-5-21-13)8-11-7-15-9-16-11;14-13(15,16)9-1-2-12-11(5-9)19(3-4-20-12)7-10-6-17-8-18-10;18-17(19)11-2-3-13-12(6-11)16(4-1-5-20-13)8-10-7-14-9-15-10;1-16-6-7-17(9-11-8-14-10-15-11)13-5-3-2-4-12(13)16;13-9-1-2-12-11(5-9)16(3-4-17-12)7-10-6-14-8-15-10;1-2-4-12-11(3-1)15(5-6-16-12)8-10-7-13-9-14-10/h3-4,7-8,10,17H,5-6,9H2,1-2H3,(H,15,16);2-3,6-7,9H,4-5,8H2,1H3,(H,15,16)(H,17,19);1-2,5-6,8H,3-4,7H2,(H,17,18);2-3,6-7,9H,1,4-5,8H2,(H,14,15);2-5,8,10H,6-7,9H2,1H3,(H,14,15);1-2,5-6,8H,3-4,7,13H2,(H,14,15);1-4,7,9H,5-6,8H2,(H,13,14).

What are the key properties of 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate?

6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate has a molecular weight of 1937.41 g/mol, XLogP of 16.58, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylsulfamoylamino)-4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-amine;4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazine;1-(1H-imidazol-5-ylmethyl)-4-methyl-2,3-dihydroquinoxaline;5-(1H-imidazol-5-ylmethyl)-7-nitro-3,4-dihydro-2H-1,5-benzoxazepine;4-(1H-imidazol-5-ylmethyl)-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]carbamate is sourced from PubChem (CID 158092040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).