5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen

C27H40N6O3S — CID 163271180

About 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen

5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen (PubChem CID 163271180) has the molecular formula C27H40N6O3S and a molecular weight of 528.72 g/mol. Its IUPAC name is 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen.

Molecular Properties

• Compound Name: 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen
• PubChem CID: 163271180
• Molecular Formula: C27H40N6O3S
• Molecular Weight: 528.72 g/mol
• Exact Mass: 528.29
• IUPAC Name: 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen
• SMILES: CC1CC1.CCOc1cncc(-c2cnc(C(=O)N[C@H](CCN3CCOCC3)c3cc(C)ccn3)s2)n1.[H][H].[H][H]
• InChI: InChI=1S/C23H28N6O3S.C4H8.2H2/c1-3-32-21-15-24-13-19(27-21)20-14-26-23(33-20)22(30)28-17(18-12-16(2)4-6-25-18)5-7-29-8-10-31-11-9-29;1-4-2-3-4;;/h4,6,12-15,17H,3,5,7-11H2,1-2H3,(H,28,30);4H,2-3H2,1H3;2*1H/t17-;;;/m1.../s1
• InChIKey: WUMBMZVVHNJSKL-NMRXSTGRSA-N
• XLogP: 4.80
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.72
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen?

The IUPAC name of 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen (CID 163271180) is 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen.

What is the SMILES notation for 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen?

The canonical SMILES for 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen is CC1CC1.CCOc1cncc(-c2cnc(C(=O)N[C@H](CCN3CCOCC3)c3cc(C)ccn3)s2)n1.[H][H].[H][H].

What is the InChIKey of 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen?

The InChIKey is WUMBMZVVHNJSKL-NMRXSTGRSA-N. The full InChI is InChI=1S/C23H28N6O3S.C4H8.2H2/c1-3-32-21-15-24-13-19(27-21)20-14-26-23(33-20)22(30)28-17(18-12-16(2)4-6-25-18)5-7-29-8-10-31-11-9-29;1-4-2-3-4;;/h4,6,12-15,17H,3,5,7-11H2,1-2H3,(H,28,30);4H,2-3H2,1H3;2*1H/t17-;;;/m1.../s1.

What are the key properties of 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen?

5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen has a molecular weight of 528.72 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethoxypyrazin-2-yl)-N-[(1R)-1-(4-methyl-2-pyridinyl)-3-morpholin-4-ylpropyl]-1,3-thiazole-2-carboxamide;methylcyclopropane;molecular hydrogen is sourced from PubChem (CID 163271180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).