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

C23H27N3O2S — CID 10136220

IUPAC(1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1
InChIInChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
InChIKeyISJPANQFRQXZLQ-QFIPXVFZSA-N
MW409.56 g/mol
LogP4.56
Rot. Bonds9

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

(1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10136220) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10136220
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name(1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1
InChIInChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1
InChIKeyISJPANQFRQXZLQ-QFIPXVFZSA-N
XLogP4.56
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.56
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

1-(4-Bromothiophen-2-yl)-2-({[2-(pyridin-2-ylmethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647943
(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)-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
(R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10291064
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
2-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-4-(pyridin-3-yl)-1,3-thiazole
CID 23646950
N-[1-(4-methoxyphenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49790053

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10136220) is (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1.
What is the InChIKey of (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is ISJPANQFRQXZLQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O2S/c27-22(19-6-3-11-24-14-19)15-25-12-13-28-20-9-7-17(8-10-20)21-16-29-23(26-21)18-4-1-2-5-18/h3,6-11,14,16,18,22,25,27H,1-2,4-5,12-13,15H2/t22-/m0/s1.
What are the key properties of (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 409.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-[4-(2-cyclopentyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10136220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).