5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C27H41N5O3S — CID 161298838

About 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide

5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 161298838) has the molecular formula C27H41N5O3S and a molecular weight of 515.72 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 161298838
• Molecular Formula: C27H41N5O3S
• Molecular Weight: 515.72 g/mol
• Exact Mass: 515.29
• IUPAC Name: 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N(C)C(C)C(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C
• InChI: InChI=1S/C27H41N5O3S/c1-16-14-20(30-26(4,5)6)28-15-19(16)22-21(24(33)32-13-11-10-12-17(32)2)29-23(36-22)25(34)31(9)18(3)27(7,8)35/h14-15,17-18,35H,10-13H2,1-9H3,(H,28,30)/t17-,18?/m0/s1
• InChIKey: BYQLQCLJASKWFQ-ZENAZSQFSA-N
• XLogP: 4.97
• TPSA: 98.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.72
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 161298838) is 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is Cc1cc(NC(C)(C)C)ncc1-c1sc(C(=O)N(C)C(C)C(C)(C)O)nc1C(=O)N1CCCC[C@@H]1C.

What is the InChIKey of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

The InChIKey is BYQLQCLJASKWFQ-ZENAZSQFSA-N. The full InChI is InChI=1S/C27H41N5O3S/c1-16-14-20(30-26(4,5)6)28-15-19(16)22-21(24(33)32-13-11-10-12-17(32)2)29-23(36-22)25(34)31(9)18(3)27(7,8)35/h14-15,17-18,35H,10-13H2,1-9H3,(H,28,30)/t17-,18?/m0/s1.

What are the key properties of 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide?

5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 515.72 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(tert-butylamino)-4-methyl-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-N-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 161298838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).