N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide

C22H24Cl2N4O3S — CID 44897735

About N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 44897735) has the molecular formula C22H24Cl2N4O3S and a molecular weight of 495.43 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide
• PubChem CID: 44897735
• Molecular Formula: C22H24Cl2N4O3S
• Molecular Weight: 495.43 g/mol
• Exact Mass: 494.09
• IUPAC Name: N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide
• SMILES: COc1c(Cl)ccc2sc(N3CCN(CCNC(=O)COc4ccc(Cl)cc4)CC3)nc12
• InChI: InChI=1S/C22H24Cl2N4O3S/c1-30-21-17(24)6-7-18-20(21)26-22(32-18)28-12-10-27(11-13-28)9-8-25-19(29)14-31-16-4-2-15(23)3-5-16/h2-7H,8-14H2,1H3,(H,25,29)
• InChIKey: LFGUKMHNXKCLFA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.43
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide?

The IUPAC name of N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide (CID 44897735) is N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide.

What is the SMILES notation for N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide?

The canonical SMILES for N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide is COc1c(Cl)ccc2sc(N3CCN(CCNC(=O)COc4ccc(Cl)cc4)CC3)nc12.

What is the InChIKey of N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide?

The InChIKey is LFGUKMHNXKCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3S/c1-30-21-17(24)6-7-18-20(21)26-22(32-18)28-12-10-27(11-13-28)9-8-25-19(29)14-31-16-4-2-15(23)3-5-16/h2-7H,8-14H2,1H3,(H,25,29).

What are the key properties of N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide?

N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 495.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 44897735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).