2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide

C24H24F3N3OS — CID 175619588

IUPAC2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(c1ccc(F)cc1)c1csc(NC(=O)c2c(F)cc(N3CCCCC3)cc2F)n1
InChIInChI=1S/C24H24F3N3OS/c1-24(2,15-6-8-16(25)9-7-15)20-14-32-23(28-20)29-22(31)21-18(26)12-17(13-19(21)27)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,29,31)
InChIKeyFQYDDJQZVHLRQC-UHFFFAOYSA-N
MW459.54 g/mol
LogP6.13
Rot. Bonds5

About 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide

2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide (PubChem CID 175619588) has the molecular formula C24H24F3N3OS and a molecular weight of 459.54 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide
PubChem CID175619588
Molecular FormulaC24H24F3N3OS
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(c1ccc(F)cc1)c1csc(NC(=O)c2c(F)cc(N3CCCCC3)cc2F)n1
InChIInChI=1S/C24H24F3N3OS/c1-24(2,15-6-8-16(25)9-7-15)20-14-32-23(28-20)29-22(31)21-18(26)12-17(13-19(21)27)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,29,31)
InChIKeyFQYDDJQZVHLRQC-UHFFFAOYSA-N
XLogP6.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide (CID 175619588) is 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide is CC(C)(c1ccc(F)cc1)c1csc(NC(=O)c2c(F)cc(N3CCCCC3)cc2F)n1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is FQYDDJQZVHLRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3OS/c1-24(2,15-6-8-16(25)9-7-15)20-14-32-23(28-20)29-22(31)21-18(26)12-17(13-19(21)27)30-10-4-3-5-11-30/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,28,29,31).
What are the key properties of 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide?
2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 459.54 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-2-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 175619588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).