N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide

C24H26N4O8S2 — CID 91339555

About N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide

N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide (PubChem CID 91339555) has the molecular formula C24H26N4O8S2 and a molecular weight of 562.63 g/mol. Its IUPAC name is N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide
• PubChem CID: 91339555
• Molecular Formula: C24H26N4O8S2
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.12
• IUPAC Name: N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide
• SMILES: O=C(Nc1nc2ccc(OCCO)nc2s1)C(=NO[C@@H]1CCOC1)c1ccc(S(=O)(=O)[C@H]2CCOC2)cc1
• InChI: InChI=1S/C24H26N4O8S2/c29-9-12-35-20-6-5-19-23(26-20)37-24(25-19)27-22(30)21(28-36-16-7-10-33-13-16)15-1-3-17(4-2-15)38(31,32)18-8-11-34-14-18/h1-6,16,18,29H,7-14H2,(H,25,27,30)/t16-,18+/m1/s1
• InChIKey: WFLYNKHGBSNLSN-AEFFLSMTSA-N
• XLogP: 1.77
• TPSA: 158.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?

The IUPAC name of N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide (CID 91339555) is N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide.

What is the SMILES notation for N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?

The canonical SMILES for N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide is O=C(Nc1nc2ccc(OCCO)nc2s1)C(=NO[C@@H]1CCOC1)c1ccc(S(=O)(=O)[C@H]2CCOC2)cc1.

What is the InChIKey of N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?

The InChIKey is WFLYNKHGBSNLSN-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H26N4O8S2/c29-9-12-35-20-6-5-19-23(26-20)37-24(25-19)27-22(30)21(28-36-16-7-10-33-13-16)15-1-3-17(4-2-15)38(31,32)18-8-11-34-14-18/h1-6,16,18,29H,7-14H2,(H,25,27,30)/t16-,18+/m1/s1.

What are the key properties of N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?

N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide has a molecular weight of 562.63 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 91339555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).