N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide

C22H25ClN4O3S — CID 44896355

About N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide

N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 44896355) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
• PubChem CID: 44896355
• Molecular Formula: C22H25ClN4O3S
• Molecular Weight: 460.99 g/mol
• Exact Mass: 460.13
• IUPAC Name: N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)NCCN2CCN(c3nc4ccc(Cl)cc4s3)CC2)c(OC)c1
• InChI: InChI=1S/C22H25ClN4O3S/c1-29-16-4-5-17(19(14-16)30-2)21(28)24-7-8-26-9-11-27(12-10-26)22-25-18-6-3-15(23)13-20(18)31-22/h3-6,13-14H,7-12H2,1-2H3,(H,24,28)
• InChIKey: FUVYHXXOCBEMQW-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.99
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?

The IUPAC name of N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide (CID 44896355) is N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide.

What is the SMILES notation for N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?

The canonical SMILES for N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN2CCN(c3nc4ccc(Cl)cc4s3)CC2)c(OC)c1.

What is the InChIKey of N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?

The InChIKey is FUVYHXXOCBEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-29-16-4-5-17(19(14-16)30-2)21(28)24-7-8-26-9-11-27(12-10-26)22-25-18-6-3-15(23)13-20(18)31-22/h3-6,13-14H,7-12H2,1-2H3,(H,24,28).

What are the key properties of N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?

N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide has a molecular weight of 460.99 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 44896355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).