1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one

C22H35N5O2S — CID 53188365

About 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 53188365) has the molecular formula C22H35N5O2S and a molecular weight of 433.62 g/mol. Its IUPAC name is 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 53188365
• Molecular Formula: C22H35N5O2S
• Molecular Weight: 433.62 g/mol
• Exact Mass: 433.25
• IUPAC Name: 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
• SMILES: CCCN1CCN(C(=O)C2CCc3nc(N4CCN(C(=O)CC)CC4)sc3C2)CC1
• InChI: InChI=1S/C22H35N5O2S/c1-3-7-24-8-10-26(11-9-24)21(29)17-5-6-18-19(16-17)30-22(23-18)27-14-12-25(13-15-27)20(28)4-2/h17H,3-16H2,1-2H3
• InChIKey: GELHAIVKADVLBF-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 59.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.62
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one (CID 53188365) is 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one is CCCN1CCN(C(=O)C2CCc3nc(N4CCN(C(=O)CC)CC4)sc3C2)CC1.

What is the InChIKey of 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

The InChIKey is GELHAIVKADVLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2S/c1-3-7-24-8-10-26(11-9-24)21(29)17-5-6-18-19(16-17)30-22(23-18)27-14-12-25(13-15-27)20(28)4-2/h17H,3-16H2,1-2H3.

What are the key properties of 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one?

1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 433.62 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(4-propylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53188365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).