N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C22H26N6O5S2 — CID 169250988

About N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169250988) has the molecular formula C22H26N6O5S2 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 169250988
• Molecular Formula: C22H26N6O5S2
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.14
• IUPAC Name: N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
• SMILES: CCOc1cncc(-c2cnc(C(=O)N[C@H](c3cc(NS(=O)(=O)C4CC4)ccn3)[C@@H](C)OC)s2)n1
• InChI: InChI=1S/C22H26N6O5S2/c1-4-33-19-12-23-10-17(26-19)18-11-25-22(34-18)21(29)27-20(13(2)32-3)16-9-14(7-8-24-16)28-35(30,31)15-5-6-15/h7-13,15,20H,4-6H2,1-3H3,(H,24,28)(H,27,29)/t13-,20+/m1/s1
• InChIKey: MHBQKUJADNEDBC-XCLFUZPHSA-N
• XLogP: 2.80
• TPSA: 145.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169250988) is N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](c3cc(NS(=O)(=O)C4CC4)ccn3)[C@@H](C)OC)s2)n1.

What is the InChIKey of N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is MHBQKUJADNEDBC-XCLFUZPHSA-N. The full InChI is InChI=1S/C22H26N6O5S2/c1-4-33-19-12-23-10-17(26-19)18-11-25-22(34-18)21(29)27-20(13(2)32-3)16-9-14(7-8-24-16)28-35(30,31)15-5-6-15/h7-13,15,20H,4-6H2,1-3H3,(H,24,28)(H,27,29)/t13-,20+/m1/s1.

What are the key properties of N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?

N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169250988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).