(2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide

C27H33N5O5S — CID 24998653

About (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide

(2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide (PubChem CID 24998653) has the molecular formula C27H33N5O5S and a molecular weight of 539.66 g/mol. Its IUPAC name is (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide.

Molecular Properties

• Compound Name: (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
• PubChem CID: 24998653
• Molecular Formula: C27H33N5O5S
• Molecular Weight: 539.66 g/mol
• Exact Mass: 539.22
• IUPAC Name: (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
• SMILES: CNCCCOc1ccc2nc(NC(=O)/C(=N\O[C@@H]3CCOC3)c3ccc(C(C)(O)C4CC4)cc3)sc2n1
• InChI: InChI=1S/C27H33N5O5S/c1-27(34,19-8-9-19)18-6-4-17(5-7-18)23(32-37-20-12-15-35-16-20)24(33)31-26-29-21-10-11-22(30-25(21)38-26)36-14-3-13-28-2/h4-7,10-11,19-20,28,34H,3,8-9,12-16H2,1-2H3,(H,29,31,33)/b32-23-/t20-,27?/m1/s1
• InChIKey: AFDBZZWJJLXIDY-IWXQYYDOSA-N
• XLogP: 3.45
• TPSA: 127.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.66
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?

The IUPAC name of (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide (CID 24998653) is (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide.

What is the SMILES notation for (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?

The canonical SMILES for (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide is CNCCCOc1ccc2nc(NC(=O)/C(=N\O[C@@H]3CCOC3)c3ccc(C(C)(O)C4CC4)cc3)sc2n1.

What is the InChIKey of (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?

The InChIKey is AFDBZZWJJLXIDY-IWXQYYDOSA-N. The full InChI is InChI=1S/C27H33N5O5S/c1-27(34,19-8-9-19)18-6-4-17(5-7-18)23(32-37-20-12-15-35-16-20)24(33)31-26-29-21-10-11-22(30-25(21)38-26)36-14-3-13-28-2/h4-7,10-11,19-20,28,34H,3,8-9,12-16H2,1-2H3,(H,29,31,33)/b32-23-/t20-,27?/m1/s1.

What are the key properties of (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide?

(2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide has a molecular weight of 539.66 g/mol, XLogP of 3.45, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[4-(1-cyclopropyl-1-hydroxyethyl)phenyl]-N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide is sourced from PubChem (CID 24998653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).