4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C26H25F7N4O4S — CID 121303178

IUPAC4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c3ncccc23)s1
InChIInChI=1S/C26H25F7N4O4S/c1-23(2,40)12-35-20(38)21-36-18(22(39)37-10-7-13(27)8-11-37)19(42-21)15-5-6-16(17-14(15)4-3-9-34-17)24(41,25(28,29)30)26(31,32)33/h3-6,9,13,40-41H,7-8,10-12H2,1-2H3,(H,35,38)
InChIKeyJNACMGUBYJYYFF-UHFFFAOYSA-N
MW622.56 g/mol
LogP4.75
Rot. Bonds6

About 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 121303178) has the molecular formula C26H25F7N4O4S and a molecular weight of 622.56 g/mol. Its IUPAC name is 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID121303178
Molecular FormulaC26H25F7N4O4S
Molecular Weight622.56 g/mol
Exact Mass622.15
IUPAC Name4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c3ncccc23)s1
InChIInChI=1S/C26H25F7N4O4S/c1-23(2,40)12-35-20(38)21-36-18(22(39)37-10-7-13(27)8-11-37)19(42-21)15-5-6-16(17-14(15)4-3-9-34-17)24(41,25(28,29)30)26(31,32)33/h3-6,9,13,40-41H,7-8,10-12H2,1-2H3,(H,35,38)
InChIKeyJNACMGUBYJYYFF-UHFFFAOYSA-N
XLogP4.75
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.56
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 121303178) is 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c3ncccc23)s1.
What is the InChIKey of 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is JNACMGUBYJYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F7N4O4S/c1-23(2,40)12-35-20(38)21-36-18(22(39)37-10-7-13(27)8-11-37)19(42-21)15-5-6-16(17-14(15)4-3-9-34-17)24(41,25(28,29)30)26(31,32)33/h3-6,9,13,40-41H,7-8,10-12H2,1-2H3,(H,35,38).
What are the key properties of 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 622.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidine-1-carbonyl)-5-[8-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)quinolin-5-yl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).