N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide

C23H25N5O3S2 — CID 44897669

About N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide

N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 44897669) has the molecular formula C23H25N5O3S2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide
• PubChem CID: 44897669
• Molecular Formula: C23H25N5O3S2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.14
• IUPAC Name: N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide
• SMILES: COc1ccc2sc(N3CCN(CCNC(=O)c4ccc5ncsc5c4)CC3)nc2c1OC
• InChI: InChI=1S/C23H25N5O3S2/c1-30-17-5-6-18-20(21(17)31-2)26-23(33-18)28-11-9-27(10-12-28)8-7-24-22(29)15-3-4-16-19(13-15)32-14-25-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,29)
• InChIKey: WCEAURVACGZKTO-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide (CID 44897669) is N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide is COc1ccc2sc(N3CCN(CCNC(=O)c4ccc5ncsc5c4)CC3)nc2c1OC.

What is the InChIKey of N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide?

The InChIKey is WCEAURVACGZKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S2/c1-30-17-5-6-18-20(21(17)31-2)26-23(33-18)28-11-9-27(10-12-28)8-7-24-22(29)15-3-4-16-19(13-15)32-14-25-16/h3-6,13-14H,7-12H2,1-2H3,(H,24,29).

What are the key properties of N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide?

N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 44897669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).