N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

C27H26F2N4O2S — CID 134303695

About N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide

N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (PubChem CID 134303695) has the molecular formula C27H26F2N4O2S and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• PubChem CID: 134303695
• Molecular Formula: C27H26F2N4O2S
• Molecular Weight: 508.59 g/mol
• Exact Mass: 508.17
• IUPAC Name: N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
• SMILES: Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2cc(F)cc(F)c2)CC1
• InChI: InChI=1S/C27H26F2N4O2S/c1-17-26(36-16-32-17)25(15-31-27(34)23-4-2-6-24-22(23)5-3-9-30-24)33-10-7-20(8-11-33)35-21-13-18(28)12-19(29)14-21/h2-6,9,12-14,16,20,25H,7-8,10-11,15H2,1H3,(H,31,34)
• InChIKey: RVYWWNAMYMQCCB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.59
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide (CID 134303695) is N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide.

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

The canonical SMILES for N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is Cc1ncsc1C(CNC(=O)c1cccc2ncccc12)N1CCC(Oc2cc(F)cc(F)c2)CC1.

What is the InChIKey of N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide?

The InChIKey is RVYWWNAMYMQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2S/c1-17-26(36-16-32-17)25(15-31-27(34)23-4-2-6-24-22(23)5-3-9-30-24)33-10-7-20(8-11-33)35-21-13-18(28)12-19(29)14-21/h2-6,9,12-14,16,20,25H,7-8,10-11,15H2,1H3,(H,31,34).

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

N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3,5-difluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 134303695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).