2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol

C23H27N5O5S — CID 142621184

About 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol (PubChem CID 142621184) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 142621184
• Molecular Formula: C23H27N5O5S
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.17
• IUPAC Name: 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1
• InChI: InChI=1S/C23H27N5O5S/c29-7-8-31-9-10-32-11-12-33-18-5-3-17(4-6-18)28-14-19(25-26-28)22(30)21-23(16-1-2-16)34-20-13-24-15-27(20)21/h3-6,13-16,22,29-30H,1-2,7-12H2
• InChIKey: OPIYLYIIDPRGBY-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 116.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol (CID 142621184) is 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1.

What is the InChIKey of 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol?

The InChIKey is OPIYLYIIDPRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c29-7-8-31-9-10-32-11-12-33-18-5-3-17(4-6-18)28-14-19(25-26-28)22(30)21-23(16-1-2-16)34-20-13-24-15-27(20)21/h3-6,13-16,22,29-30H,1-2,7-12H2.

What are the key properties of 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol has a molecular weight of 485.57 g/mol, XLogP of 2.34, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 142621184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).