4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C23H22F10N4O4S — CID 121303345

IUPAC4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)s1
InChIInChI=1S/C23H22F10N4O4S/c1-19(2,40)9-35-16(38)17-36-14(18(39)37-5-3-10(24)4-6-37)15(42-17)11-8-34-13(7-12(11)21(25,26)27)20(41,22(28,29)30)23(31,32)33/h7-8,10,40-41H,3-6,9H2,1-2H3,(H,35,38)
InChIKeyCHVXRWYBJLSILB-UHFFFAOYSA-N
MW640.50 g/mol
LogP4.61
Rot. Bonds6

About 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 121303345) has the molecular formula C23H22F10N4O4S and a molecular weight of 640.50 g/mol. Its IUPAC name is 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID121303345
Molecular FormulaC23H22F10N4O4S
Molecular Weight640.50 g/mol
Exact Mass640.12
IUPAC Name4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)s1
InChIInChI=1S/C23H22F10N4O4S/c1-19(2,40)9-35-16(38)17-36-14(18(39)37-5-3-10(24)4-6-37)15(42-17)11-8-34-13(7-12(11)21(25,26)27)20(41,22(28,29)30)23(31,32)33/h7-8,10,40-41H,3-6,9H2,1-2H3,(H,35,38)
InChIKeyCHVXRWYBJLSILB-UHFFFAOYSA-N
XLogP4.61
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.50
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-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-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 121303345) is 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)s1.
What is the InChIKey of 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is CHVXRWYBJLSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F10N4O4S/c1-19(2,40)9-35-16(38)17-36-14(18(39)37-5-3-10(24)4-6-37)15(42-17)11-8-34-13(7-12(11)21(25,26)27)20(41,22(28,29)30)23(31,32)33/h7-8,10,40-41H,3-6,9H2,1-2H3,(H,35,38).
What are the key properties of 4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?
4-(4-fluoropiperidine-1-carbonyl)-5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 640.50 g/mol, XLogP of 4.61, 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-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).