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

C18H19N3O2S — CID 10291064

IUPAC(1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1
InChIInChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
InChIKeyZYUCOCQMSLRKPR-SFHVURJKSA-N
MW341.44 g/mol
LogP2.91
Rot. Bonds8

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

(1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol (PubChem CID 10291064) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol
PubChem CID10291064
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol
SMILESO[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1
InChIInChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
InChIKeyZYUCOCQMSLRKPR-SFHVURJKSA-N
XLogP2.91
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Leriglitazone
CID 4147757
1-(4-Bromothiophen-2-yl)-2-({[2-(pyridin-2-ylmethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647943
1-(4-Bromothiophen-2-yl)-2-({[2-(pyridin-3-ylmethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647944
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10112744
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
(R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10136220
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10201549
(R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10273469
N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethoxy-phenyl)-thiazol-2-yl]-benzenesulfonamide
CID 10722793
(1R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-3-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 44444378
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-4-yl)-1,3-thiazole
CID 23646949

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol?
The IUPAC name of (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol (CID 10291064) is (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol?
The canonical SMILES for (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol is O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1.
What is the InChIKey of (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol?
The InChIKey is ZYUCOCQMSLRKPR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1.
What are the key properties of (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol?
(1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol has a molecular weight of 341.44 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-2-[2-[4-(1,3-thiazol-4-yl)phenoxy]ethylamino]ethanol is sourced from PubChem (CID 10291064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).