5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde

C27H38F3N5O3S — CID 145391648

About 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde

5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde (PubChem CID 145391648) has the molecular formula C27H38F3N5O3S and a molecular weight of 569.69 g/mol. Its IUPAC name is 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde
• PubChem CID: 145391648
• Molecular Formula: C27H38F3N5O3S
• Molecular Weight: 569.69 g/mol
• Exact Mass: 569.26
• IUPAC Name: 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde
• SMILES: CC1CCCN1C=O.Cc1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C2CC2)cc1C(F)(F)F
• InChI: InChI=1S/C21H27F3N4O2S.C6H11NO/c1-11-16(31-18(27-11)17(29)26-10-19(2,3)30)13-9-25-15(8-14(13)21(22,23)24)28-20(4,5)12-6-7-12;1-6-3-2-4-7(6)5-8/h8-9,12,30H,6-7,10H2,1-5H3,(H,25,28)(H,26,29);5-6H,2-4H2,1H3
• InChIKey: UGHCVXPZWDDWPU-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 107.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.69
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde?

The IUPAC name of 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde (CID 145391648) is 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde.

What is the SMILES notation for 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde?

The canonical SMILES for 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde is CC1CCCN1C=O.Cc1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)(C)C2CC2)cc1C(F)(F)F.

What is the InChIKey of 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde?

The InChIKey is UGHCVXPZWDDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2S.C6H11NO/c1-11-16(31-18(27-11)17(29)26-10-19(2,3)30)13-9-25-15(8-14(13)21(22,23)24)28-20(4,5)12-6-7-12;1-6-3-2-4-7(6)5-8/h8-9,12,30H,6-7,10H2,1-5H3,(H,25,28)(H,26,29);5-6H,2-4H2,1H3.

What are the key properties of 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde?

5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde has a molecular weight of 569.69 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 145391648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).