5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H20BrN3O2S — CID 30189317

About 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide

5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 30189317) has the molecular formula C16H20BrN3O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 30189317
• Molecular Formula: C16H20BrN3O2S
• Molecular Weight: 398.33 g/mol
• Exact Mass: 397.05
• IUPAC Name: 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1
• InChI: InChI=1S/C16H20BrN3O2S/c1-10-5-11(2)7-20(6-10)8-12-9-23-16(18-12)19-15(21)13-3-4-14(17)22-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,21)/t10-,11-/m1/s1
• InChIKey: PTRKPFOZBJQFFK-GHMZBOCLSA-N
• XLogP: 4.23
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.33
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 30189317) is 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1.

What is the InChIKey of 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is PTRKPFOZBJQFFK-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H20BrN3O2S/c1-10-5-11(2)7-20(6-10)8-12-9-23-16(18-12)19-15(21)13-3-4-14(17)22-13/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,21)/t10-,11-/m1/s1.

What are the key properties of 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 30189317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).