N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide

C23H33N7O4S2 — CID 163271128

About N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide

N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide (PubChem CID 163271128) has the molecular formula C23H33N7O4S2 and a molecular weight of 535.70 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide
• PubChem CID: 163271128
• Molecular Formula: C23H33N7O4S2
• Molecular Weight: 535.70 g/mol
• Exact Mass: 535.20
• IUPAC Name: N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide
• SMILES: CCOc1cncc(-c2cnc(C(=O)NCCN3CCC3)s2)n1.O=S(=O)(Nc1ccncc1)C1CC1.[H][H].[H][H]
• InChI: InChI=1S/C15H19N5O2S.C8H10N2O2S.2H2/c1-2-22-13-10-16-8-11(19-13)12-9-18-15(23-12)14(21)17-4-7-20-5-3-6-20;11-13(12,8-1-2-8)10-7-3-5-9-6-4-7;;/h8-10H,2-7H2,1H3,(H,17,21);3-6,8H,1-2H2,(H,9,10);2*1H
• InChIKey: UXALZHKYRDHRRK-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 139.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.70
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide?

The IUPAC name of N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide (CID 163271128) is N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide.

What is the SMILES notation for N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide?

The canonical SMILES for N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide is CCOc1cncc(-c2cnc(C(=O)NCCN3CCC3)s2)n1.O=S(=O)(Nc1ccncc1)C1CC1.[H][H].[H][H].

What is the InChIKey of N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide?

The InChIKey is UXALZHKYRDHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S.C8H10N2O2S.2H2/c1-2-22-13-10-16-8-11(19-13)12-9-18-15(23-12)14(21)17-4-7-20-5-3-6-20;11-13(12,8-1-2-8)10-7-3-5-9-6-4-7;;/h8-10H,2-7H2,1H3,(H,17,21);3-6,8H,1-2H2,(H,9,10);2*1H.

What are the key properties of N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide?

N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide has a molecular weight of 535.70 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide is sourced from PubChem (CID 163271128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).