1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

C19H22FN5OS — CID 90609443

About 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 90609443) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 90609443
• Molecular Formula: C19H22FN5OS
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.15
• IUPAC Name: 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1nccn1CCNC(=O)C1CCN(c2nc3c(F)cccc3s2)CC1
• InChI: InChI=1S/C19H22FN5OS/c1-13-21-7-11-24(13)12-8-22-18(26)14-5-9-25(10-6-14)19-23-17-15(20)3-2-4-16(17)27-19/h2-4,7,11,14H,5-6,8-10,12H2,1H3,(H,22,26)
• InChIKey: RKBLYZXBJKXPGX-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide (CID 90609443) is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is Cc1nccn1CCNC(=O)C1CCN(c2nc3c(F)cccc3s2)CC1.

What is the InChIKey of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is RKBLYZXBJKXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-13-21-7-11-24(13)12-8-22-18(26)14-5-9-25(10-6-14)19-23-17-15(20)3-2-4-16(17)27-19/h2-4,7,11,14H,5-6,8-10,12H2,1H3,(H,22,26).

What are the key properties of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide?

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 90609443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).