N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C24H34F2N4OS2 — CID 147788179

About N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 147788179) has the molecular formula C24H34F2N4OS2 and a molecular weight of 496.69 g/mol. Its IUPAC name is N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
• PubChem CID: 147788179
• Molecular Formula: C24H34F2N4OS2
• Molecular Weight: 496.69 g/mol
• Exact Mass: 496.21
• IUPAC Name: N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
• SMILES: Cc1ncc(CC(=O)NC2CCC(CCN3CCC(c4nscc4C(C)(F)F)CC3)CC2)s1
• InChI: InChI=1S/C24H34F2N4OS2/c1-16-27-14-20(33-16)13-22(31)28-19-5-3-17(4-6-19)7-10-30-11-8-18(9-12-30)23-21(15-32-29-23)24(2,25)26/h14-15,17-19H,3-13H2,1-2H3,(H,28,31)
• InChIKey: HJCKNZCUBOVUBA-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.69
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The IUPAC name of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 147788179) is N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

What is the SMILES notation for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The canonical SMILES for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCC(c4nscc4C(C)(F)F)CC3)CC2)s1.

What is the InChIKey of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

The InChIKey is HJCKNZCUBOVUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4OS2/c1-16-27-14-20(33-16)13-22(31)28-19-5-3-17(4-6-19)7-10-30-11-8-18(9-12-30)23-21(15-32-29-23)24(2,25)26/h14-15,17-19H,3-13H2,1-2H3,(H,28,31).

What are the key properties of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?

N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 496.69 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 147788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).