5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde

C26H35F4N5O3S — CID 145391666

About 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde

5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde (PubChem CID 145391666) has the molecular formula C26H35F4N5O3S and a molecular weight of 573.66 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde
• PubChem CID: 145391666
• Molecular Formula: C26H35F4N5O3S
• Molecular Weight: 573.66 g/mol
• Exact Mass: 573.24
• IUPAC Name: 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde
• SMILES: CC1CC(F)(F)CN1C=O.Cc1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F
• InChI: InChI=1S/C20H26F2N4O2S.C6H9F2NO/c1-11-15(29-18(25-11)17(27)24-10-19(2,3)28)13-9-23-14(8-12(13)16(21)22)26-20(4)6-5-7-20;1-5-2-6(7,8)3-9(5)4-10/h8-9,16,28H,5-7,10H2,1-4H3,(H,23,26)(H,24,27);4-5H,2-3H2,1H3
• InChIKey: VVYQXFVFCOTTQP-UHFFFAOYSA-N
• XLogP: 5.18
• 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	573.66
LogP ≤ 5	5.18
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-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde?

The IUPAC name of 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde (CID 145391666) is 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde.

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

The canonical SMILES for 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde is CC1CC(F)(F)CN1C=O.Cc1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC2(C)CCC2)cc1C(F)F.

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

The InChIKey is VVYQXFVFCOTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2S.C6H9F2NO/c1-11-15(29-18(25-11)17(27)24-10-19(2,3)28)13-9-23-14(8-12(13)16(21)22)26-20(4)6-5-7-20;1-5-2-6(7,8)3-9(5)4-10/h8-9,16,28H,5-7,10H2,1-4H3,(H,23,26)(H,24,27);4-5H,2-3H2,1H3.

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

5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde has a molecular weight of 573.66 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde is sourced from PubChem (CID 145391666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).