2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

C20H25N5O2S — CID 8803382

About 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 8803382) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 8803382
• Molecular Formula: C20H25N5O2S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.17
• IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
• SMILES: Cc1cc(CN2CCN(C(=O)CN(C)Cc3nc4ccccc4s3)CC2)no1
• InChI: InChI=1S/C20H25N5O2S/c1-15-11-16(22-27-15)12-24-7-9-25(10-8-24)20(26)14-23(2)13-19-21-17-5-3-4-6-18(17)28-19/h3-6,11H,7-10,12-14H2,1-2H3
• InChIKey: ATZBVVYVAXTZJD-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 65.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone (CID 8803382) is 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is Cc1cc(CN2CCN(C(=O)CN(C)Cc3nc4ccccc4s3)CC2)no1.

What is the InChIKey of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is ATZBVVYVAXTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15-11-16(22-27-15)12-24-7-9-25(10-8-24)20(26)14-23(2)13-19-21-17-5-3-4-6-18(17)28-19/h3-6,11H,7-10,12-14H2,1-2H3.

What are the key properties of 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone?

2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 399.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 8803382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).