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

C25H26N4O2S — CID 10114560

IUPAC(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCCc1cc(-c2nc(-c3ccc(OCCNC[C@H](O)c4cccnc4)cc3)cs2)ccn1
InChIInChI=1S/C25H26N4O2S/c1-2-21-14-19(9-11-28-21)25-29-23(17-32-25)18-5-7-22(8-6-18)31-13-12-27-16-24(30)20-4-3-10-26-15-20/h3-11,14-15,17,24,27,30H,2,12-13,16H2,1H3/t24-/m0/s1
InChIKeyRQMILMBHPRWYQQ-DEOSSOPVSA-N
MW446.58 g/mol
LogP4.53
Rot. Bonds10

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

(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10114560) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10114560
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCCc1cc(-c2nc(-c3ccc(OCCNC[C@H](O)c4cccnc4)cc3)cs2)ccn1
InChIInChI=1S/C25H26N4O2S/c1-2-21-14-19(9-11-28-21)25-29-23(17-32-25)18-5-7-22(8-6-18)31-13-12-27-16-24(30)20-4-3-10-26-15-20/h3-11,14-15,17,24,27,30H,2,12-13,16H2,1H3/t24-/m0/s1
InChIKeyRQMILMBHPRWYQQ-DEOSSOPVSA-N
XLogP4.53
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(1R)-1-pyridin-3-yl-2-[2-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10116979
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 10201549
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 87975624
2-[4-[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N,2-trimethylpropanamide
CID 22560759
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87975327
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenoxy]ethylamino]ethanol
CID 18532951
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
N'-hydroxy-4-[5-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
CID 11677232
N-[2-(4-methylphenoxy)ethyl]-2-phosphanyloxy-2-pyridin-3-ylethanamine
CID 20620892
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87976518

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10114560) is (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is CCc1cc(-c2nc(-c3ccc(OCCNC[C@H](O)c4cccnc4)cc3)cs2)ccn1.
What is the InChIKey of (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is RQMILMBHPRWYQQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-2-21-14-19(9-11-28-21)25-29-23(17-32-25)18-5-7-22(8-6-18)31-13-12-27-16-24(30)20-4-3-10-26-15-20/h3-11,14-15,17,24,27,30H,2,12-13,16H2,1H3/t24-/m0/s1.
What are the key properties of (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 446.58 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).