2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid

C17H22N2O2S2 — CID 136550586

About 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid

2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid (PubChem CID 136550586) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid.

Molecular Properties

• Compound Name: 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
• PubChem CID: 136550586
• Molecular Formula: C17H22N2O2S2
• Molecular Weight: 350.51 g/mol
• Exact Mass: 350.11
• IUPAC Name: 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
• SMILES: CC(C)c1csc(C2CCCN(C(C(=O)O)c3ccsc3)C2)n1
• InChI: InChI=1S/C17H22N2O2S2/c1-11(2)14-10-23-16(18-14)12-4-3-6-19(8-12)15(17(20)21)13-5-7-22-9-13/h5,7,9-12,15H,3-4,6,8H2,1-2H3,(H,20,21)
• InChIKey: CJGLRLPKGONJEN-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.51
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?

The IUPAC name of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid (CID 136550586) is 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid.

What is the SMILES notation for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?

The canonical SMILES for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid is CC(C)c1csc(C2CCCN(C(C(=O)O)c3ccsc3)C2)n1.

What is the InChIKey of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?

The InChIKey is CJGLRLPKGONJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-11(2)14-10-23-16(18-14)12-4-3-6-19(8-12)15(17(20)21)13-5-7-22-9-13/h5,7,9-12,15H,3-4,6,8H2,1-2H3,(H,20,21).

What are the key properties of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid?

2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid has a molecular weight of 350.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 136550586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).