5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide

C20H26F2N4O2S — CID 145391595

About 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide

5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 145391595) has the molecular formula C20H26F2N4O2S and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
• PubChem CID: 145391595
• Molecular Formula: C20H26F2N4O2S
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.17
• IUPAC Name: 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
• SMILES: Cc1nc(C(=O)NCC(C)(C)O)sc1-c1cnc(NC(C)C2CC2)cc1C(F)F
• InChI: InChI=1S/C20H26F2N4O2S/c1-10(12-5-6-12)25-15-7-13(17(21)22)14(8-23-15)16-11(2)26-19(29-16)18(27)24-9-20(3,4)28/h7-8,10,12,17,28H,5-6,9H2,1-4H3,(H,23,25)(H,24,27)
• InChIKey: QOFDOTPPRIZEOL-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 87.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 145391595) is 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide?

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

What is the InChIKey of 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide?

The InChIKey is QOFDOTPPRIZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2S/c1-10(12-5-6-12)25-15-7-13(17(21)22)14(8-23-15)16-11(2)26-19(29-16)18(27)24-9-20(3,4)28/h7-8,10,12,17,28H,5-6,9H2,1-4H3,(H,23,25)(H,24,27).

What are the key properties of 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide?

5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 145391595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).