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

C24H25F9N4O4S — CID 121303414

IUPAC5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/t11-/m0/s1
InChIKeyRZRURHMMNKGZCZ-NSHDSACASA-N
MW636.54 g/mol
LogP5.05
Rot. Bonds6

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

5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 121303414) has the molecular formula C24H25F9N4O4S and a molecular weight of 636.54 g/mol. Its IUPAC name is 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID121303414
Molecular FormulaC24H25F9N4O4S
Molecular Weight636.54 g/mol
Exact Mass636.15
IUPAC Name5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/t11-/m0/s1
InChIKeyRZRURHMMNKGZCZ-NSHDSACASA-N
XLogP5.05
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.54
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 121303414) is 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is C[C@H]1CCCCN1C(=O)c1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(C(O)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is RZRURHMMNKGZCZ-NSHDSACASA-N. The full InChI is InChI=1S/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/t11-/m0/s1.
What are the key properties of 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 636.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).