5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

C106H140F4N22O12S4 — CID 159343796

About 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide

5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 159343796) has the molecular formula C106H140F4N22O12S4 and a molecular weight of 2118.69 g/mol. Its IUPAC name is 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 159343796
• Molecular Formula: C106H140F4N22O12S4
• Molecular Weight: 2118.69 g/mol
• Exact Mass: 2116.98
• IUPAC Name: 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
• SMILES: CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C#N)c2)s1.CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)cc2C2CC2)s1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.[C-]#[N+]c1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1
• InChI: InChI=1S/C28H38FN5O3S.2C26H33FN6O3S.C26H36FN5O3S/c1-28(2,37)16-31-25(35)26-33-23(27(36)34-12-10-18(29)11-13-34)24(38-26)21-15-30-22(14-20(21)17-8-9-17)32-19-6-4-3-5-7-19;1-26(2,36)15-30-23(34)24-32-21(25(35)33-11-9-16(27)10-12-33)22(37-24)18-14-29-20(13-19(18)28-3)31-17-7-5-4-6-8-17;1-26(2,36)15-30-23(34)24-32-20(25(35)33-10-8-18(27)9-11-33)21(37-24)17-12-16(13-28)22(29-14-17)31-19-6-4-3-5-7-19;1-16-13-20(30-18-7-5-4-6-8-18)28-14-19(16)22-21(25(34)32-11-9-17(27)10-12-32)31-24(36-22)23(33)29-15-26(2,3)35/h14-15,17-19,37H,3-13,16H2,1-2H3,(H,30,32)(H,31,35);13-14,16-17,36H,4-12,15H2,1-2H3,(H,29,31)(H,30,34);12,14,18-19,36H,3-11,15H2,1-2H3,(H,29,31)(H,30,34);13-14,17-18,35H,4-12,15H2,1-3H3,(H,28,30)(H,29,33)
• InChIKey: LGLROYDVYMXCQY-UHFFFAOYSA-N
• XLogP: 17.71
• TPSA: 457.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.69
LogP ≤ 5	17.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 159343796) is 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)c(C#N)c2)s1.CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(-c2cnc(NC3CCCCC3)cc2C2CC2)s1.Cc1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.[C-]#[N+]c1cc(NC2CCCCC2)ncc1-c1sc(C(=O)NCC(C)(C)O)nc1C(=O)N1CCC(F)CC1.

What is the InChIKey of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?

The InChIKey is LGLROYDVYMXCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN5O3S.2C26H33FN6O3S.C26H36FN5O3S/c1-28(2,37)16-31-25(35)26-33-23(27(36)34-12-10-18(29)11-13-34)24(38-26)21-15-30-22(14-20(21)17-8-9-17)32-19-6-4-3-5-7-19;1-26(2,36)15-30-23(34)24-32-21(25(35)33-11-9-16(27)10-12-33)22(37-24)18-14-29-20(13-19(18)28-3)31-17-7-5-4-6-8-17;1-26(2,36)15-30-23(34)24-32-20(25(35)33-10-8-18(27)9-11-33)21(37-24)17-12-16(13-28)22(29-14-17)31-19-6-4-3-5-7-19;1-16-13-20(30-18-7-5-4-6-8-18)28-14-19(16)22-21(25(34)32-11-9-17(27)10-12-32)31-24(36-22)23(33)29-15-26(2,3)35/h14-15,17-19,37H,3-13,16H2,1-2H3,(H,30,32)(H,31,35);13-14,16-17,36H,4-12,15H2,1-2H3,(H,29,31)(H,30,34);12,14,18-19,36H,3-11,15H2,1-2H3,(H,29,31)(H,30,34);13-14,17-18,35H,4-12,15H2,1-3H3,(H,28,30)(H,29,33).

What are the key properties of 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide?

5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 2118.69 g/mol, XLogP of 17.71, 29 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-cyano-6-(cyclohexylamino)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-cyclopropyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-isocyano-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159343796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).