2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol

C25H25N3O3S — CID 18532892

IUPAC2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCOc1ccc(-c2nc(-c3ccc(OCCNCC(O)c4cccnc4)cc3)cs2)cc1
InChIInChI=1S/C25H25N3O3S/c1-30-21-8-6-19(7-9-21)25-28-23(17-32-25)18-4-10-22(11-5-18)31-14-13-27-16-24(29)20-3-2-12-26-15-20/h2-12,15,17,24,27,29H,13-14,16H2,1H3
InChIKeyZKODPJBMNSJUCR-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.58
Rot. Bonds10

About 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol

2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 18532892) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID18532892
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCOc1ccc(-c2nc(-c3ccc(OCCNCC(O)c4cccnc4)cc3)cs2)cc1
InChIInChI=1S/C25H25N3O3S/c1-30-21-8-6-19(7-9-21)25-28-23(17-32-25)18-4-10-22(11-5-18)31-14-13-27-16-24(29)20-3-2-12-26-15-20/h2-12,15,17,24,27,29H,13-14,16H2,1H3
InChIKeyZKODPJBMNSJUCR-UHFFFAOYSA-N
XLogP4.58
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 18532892) is 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is COc1ccc(-c2nc(-c3ccc(OCCNCC(O)c4cccnc4)cc3)cs2)cc1.
What is the InChIKey of 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is ZKODPJBMNSJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-30-21-8-6-19(7-9-21)25-28-23(17-32-25)18-4-10-22(11-5-18)31-14-13-27-16-24(29)20-3-2-12-26-15-20/h2-12,15,17,24,27,29H,13-14,16H2,1H3.
What are the key properties of 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 447.56 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 18532892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).