5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide

C51H64N14O6S4 — CID 169251434

About 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide

5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251434) has the molecular formula C51H64N14O6S4 and a molecular weight of 1097.43 g/mol. Its IUPAC name is 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251434
• Molecular Formula: C51H64N14O6S4
• Molecular Weight: 1097.43 g/mol
• Exact Mass: 1096.40
• IUPAC Name: 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide
• SMILES: CC(CCOc1cncc(-c2cnc(C(=O)NC(CN3CCC(O)C3)c3cc(NS(=O)C4CC4)ccn3)s2)n1)C1CC1.CCOc1cncc(-c2cnc(C(=O)NC(CN3CCC(C)C3)c3cc(NS)ccn3)s2)n1
• InChI: InChI=1S/C29H37N7O4S2.C22H27N7O2S2/c1-18(19-2-3-19)8-11-40-27-15-30-13-24(33-27)26-14-32-29(41-26)28(38)34-25(17-36-10-7-21(37)16-36)23-12-20(6-9-31-23)35-42(39)22-4-5-22;1-3-31-20-11-23-9-17(26-20)19-10-25-22(33-19)21(30)27-18(13-29-7-5-14(2)12-29)16-8-15(28-32)4-6-24-16/h6,9,12-15,18-19,21-22,25,37H,2-5,7-8,10-11,16-17H2,1H3,(H,31,35)(H,34,38);4,6,8-11,14,18,32H,3,5,7,12-13H2,1-2H3,(H,24,28)(H,27,30)
• InChIKey: QGMXVYJFAAGWOB-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 247.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1097.43
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide (CID 169251434) is 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide is CC(CCOc1cncc(-c2cnc(C(=O)NC(CN3CCC(O)C3)c3cc(NS(=O)C4CC4)ccn3)s2)n1)C1CC1.CCOc1cncc(-c2cnc(C(=O)NC(CN3CCC(C)C3)c3cc(NS)ccn3)s2)n1.

What is the InChIKey of 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide?

The InChIKey is QGMXVYJFAAGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4S2.C22H27N7O2S2/c1-18(19-2-3-19)8-11-40-27-15-30-13-24(33-27)26-14-32-29(41-26)28(38)34-25(17-36-10-7-21(37)16-36)23-12-20(6-9-31-23)35-42(39)22-4-5-22;1-3-31-20-11-23-9-17(26-20)19-10-25-22(33-19)21(30)27-18(13-29-7-5-14(2)12-29)16-8-15(28-32)4-6-24-16/h6,9,12-15,18-19,21-22,25,37H,2-5,7-8,10-11,16-17H2,1H3,(H,31,35)(H,34,38);4,6,8-11,14,18,32H,3,5,7,12-13H2,1-2H3,(H,24,28)(H,27,30).

What are the key properties of 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide?

5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 1097.43 g/mol, XLogP of 7.05, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).