5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide

C25H33N7O5S2 — CID 169251155

About 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide

5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide (PubChem CID 169251155) has the molecular formula C25H33N7O5S2 and a molecular weight of 575.72 g/mol. Its IUPAC name is 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide
• PubChem CID: 169251155
• Molecular Formula: C25H33N7O5S2
• Molecular Weight: 575.72 g/mol
• Exact Mass: 575.20
• IUPAC Name: 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide
• SMILES: CCOc1cncc(-c2cnc(C(N)=O)s2)n1.O=S(=O)(Nc1ccnc(CCN2CCCOCC2)c1)C1CC1
• InChI: InChI=1S/C15H23N3O3S.C10H10N4O2S/c19-22(20,15-2-3-15)17-14-4-6-16-13(12-14)5-8-18-7-1-10-21-11-9-18;1-2-16-8-5-12-3-6(14-8)7-4-13-10(17-7)9(11)15/h4,6,12,15H,1-3,5,7-11H2,(H,16,17);3-5H,2H2,1H3,(H2,11,15)
• InChIKey: RYBZSXJUABYKAX-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 162.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.72
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide?

The IUPAC name of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide (CID 169251155) is 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide.

What is the SMILES notation for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide?

The canonical SMILES for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide is CCOc1cncc(-c2cnc(C(N)=O)s2)n1.O=S(=O)(Nc1ccnc(CCN2CCCOCC2)c1)C1CC1.

What is the InChIKey of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide?

The InChIKey is RYBZSXJUABYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.C10H10N4O2S/c19-22(20,15-2-3-15)17-14-4-6-16-13(12-14)5-8-18-7-1-10-21-11-9-18;1-2-16-8-5-12-3-6(14-8)7-4-13-10(17-7)9(11)15/h4,6,12,15H,1-3,5,7-11H2,(H,16,17);3-5H,2H2,1H3,(H2,11,15).

What are the key properties of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide?

5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide has a molecular weight of 575.72 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;N-[2-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 169251155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).