1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine

C77H80N14S7+4 — CID 159325579

About 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine

1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine (PubChem CID 159325579) has the molecular formula C77H80N14S7+4 and a molecular weight of 1426.05 g/mol. Its IUPAC name is 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine.

Molecular Properties

• Compound Name: 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine
• PubChem CID: 159325579
• Molecular Formula: C77H80N14S7+4
• Molecular Weight: 1426.05 g/mol
• Exact Mass: 1424.47
• IUPAC Name: 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine
• SMILES: C.C.C.Cc1c[n+]2c3ccccc3sc2n1C.Cc1n2c(c[n+]1C)sc1ccccc12.Cc1nc2c(cc3ccccn32)s1.Cc1nc2cn3ccccc3c2s1.Cc1ncn2c1sc1ccccc12.Cc1sc2c(cc3ccccn32)[n+]1C.Cc1sc2cn3ccccc3c2[n+]1C
• InChI: InChI=1S/4C11H11N2S.3C10H8N2S.3CH4/c1-8-12(2)11-9-5-3-4-6-13(9)7-10(11)14-8;1-8-12(2)7-11-13(8)9-5-3-4-6-10(9)14-11;1-8-12(2)10-7-9-5-3-4-6-13(9)11(10)14-8;1-8-7-13-9-5-3-4-6-10(9)14-11(13)12(8)2;1-7-11-8-6-12-5-3-2-4-9(12)10(8)13-7;1-7-10-12(6-11-7)8-4-2-3-5-9(8)13-10;1-7-11-10-9(13-7)6-8-4-2-3-5-12(8)10;;;/h4*3-7H,1-2H3;3*2-6H,1H3;3*1H4/q4*+1
• InChIKey: TVBMDGXTHBCQBJ-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 85.80 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1426.05
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine?

The IUPAC name of 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine (CID 159325579) is 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine.

What is the SMILES notation for 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine?

The canonical SMILES for 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine is C.C.C.Cc1c[n+]2c3ccccc3sc2n1C.Cc1n2c(c[n+]1C)sc1ccccc12.Cc1nc2c(cc3ccccn32)s1.Cc1nc2cn3ccccc3c2s1.Cc1ncn2c1sc1ccccc12.Cc1sc2c(cc3ccccn32)[n+]1C.Cc1sc2cn3ccccc3c2[n+]1C.

What is the InChIKey of 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine?

The InChIKey is TVBMDGXTHBCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H11N2S.3C10H8N2S.3CH4/c1-8-12(2)11-9-5-3-4-6-13(9)7-10(11)14-8;1-8-12(2)7-11-13(8)9-5-3-4-6-10(9)14-11;1-8-12(2)10-7-9-5-3-4-6-13(9)11(10)14-8;1-8-7-13-9-5-3-4-6-10(9)14-11(13)12(8)2;1-7-11-8-6-12-5-3-2-4-9(12)10(8)13-7;1-7-10-12(6-11-7)8-4-2-3-5-9(8)13-10;1-7-11-10-9(13-7)6-8-4-2-3-5-12(8)10;;;/h4*3-7H,1-2H3;3*2-6H,1H3;3*1H4/q4*+1;;;;;;.

What are the key properties of 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine?

1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine has a molecular weight of 1426.05 g/mol, XLogP of 19.63, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylimidazo[5,1-b][1,3]benzothiazol-2-ium;2,3-dimethylimidazo[2,1-b][1,3]benzothiazol-9-ium;1,2-dimethyl-[1,3]thiazolo[4,5-a]indolizin-1-ium;2,3-dimethyl-[1,3]thiazolo[4,5-b]indolizin-3-ium;methane;3-methylimidazo[5,1-b][1,3]benzothiazole;2-methyl-[1,3]thiazolo[5,4-a]indolizine;2-methyl-[1,3]thiazolo[5,4-b]indolizine is sourced from PubChem (CID 159325579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).