N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane

C56H58F6MnN9O11S8+ — CID 159426004

About N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane (PubChem CID 159426004) has the molecular formula C56H58F6MnN9O11S8+ and a molecular weight of 1459.60 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane
• PubChem CID: 159426004
• Molecular Formula: C56H58F6MnN9O11S8+
• Molecular Weight: 1459.60 g/mol
• Exact Mass: 1458.14
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane
• SMILES: CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2.CC(=O)Nc1sc2cnccc2c1-c1nc2ccccc2s1.CCOOOSC(F)(F)F.CC[NH+]1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1.O=S(=O)(O)C(F)(F)F.O=[Mn]=O.[2H]CC
• InChI: InChI=1S/C18H19N3OS2.C16H15N3OS2.C16H11N3OS2.C3H5F3O3S.C2H6.CHF3O3S.Mn.2O/c1-3-21-9-8-12-15(10-21)24-17(19-11(2)22)16(12)18-20-13-6-4-5-7-14(13)23-18;2*1-9(20)18-15-14(10-6-7-17-8-13(10)22-15)16-19-11-4-2-3-5-12(11)21-16;1-2-7-8-9-10-3(4,5)6;1-2;2-1(3,4)8(5,6)7;;;/h4-7H,3,8-10H2,1-2H3,(H,19,22);2-5,17H,6-8H2,1H3,(H,18,20);2-8H,1H3,(H,18,20);2H2,1H3;1-2H3;(H,5,6,7);;;/p+1/i;;;;1D
• InChIKey: RDBWBCZRQHZQKZ-HHVZCZSDSA-O
• XLogP: 14.34
• TPSA: 271.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1459.60
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane?

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane (CID 159426004) is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane.

What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane?

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane is CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2.CC(=O)Nc1sc2cnccc2c1-c1nc2ccccc2s1.CCOOOSC(F)(F)F.CC[NH+]1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1.O=S(=O)(O)C(F)(F)F.O=[Mn]=O.[2H]CC.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane?

The InChIKey is RDBWBCZRQHZQKZ-HHVZCZSDSA-O. The full InChI is InChI=1S/C18H19N3OS2.C16H15N3OS2.C16H11N3OS2.C3H5F3O3S.C2H6.CHF3O3S.Mn.2O/c1-3-21-9-8-12-15(10-21)24-17(19-11(2)22)16(12)18-20-13-6-4-5-7-14(13)23-18;2*1-9(20)18-15-14(10-6-7-17-8-13(10)22-15)16-19-11-4-2-3-5-12(11)21-16;1-2-7-8-9-10-3(4,5)6;1-2;2-1(3,4)8(5,6)7;;;/h4-7H,3,8-10H2,1-2H3,(H,19,22);2-5,17H,6-8H2,1H3,(H,18,20);2-8H,1H3,(H,18,20);2H2,1H3;1-2H3;(H,5,6,7);;;/p+1/i;;;;1D;;;;.

What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane?

N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane has a molecular weight of 1459.60 g/mol, XLogP of 14.34, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)thieno[2,3-c]pyridin-2-yl]acetamide;deuterioethane;dioxomanganese;trifluoromethanesulfonic acid;trifluoromethylsulfanyloxyperoxyethane is sourced from PubChem (CID 159426004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).