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

C24H23N3O2S — CID 10273469

IUPAC(1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1
InChIInChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
InChIKeyBJYIHFRHJDQJJX-QHCPKHFHSA-N
MW417.53 g/mol
LogP4.57
Rot. Bonds9

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

(1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10273469) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10273469
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name(1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESO[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1
InChIInChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
InChIKeyBJYIHFRHJDQJJX-QHCPKHFHSA-N
XLogP4.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10273469) is (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1.
What is the InChIKey of (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is BJYIHFRHJDQJJX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1.
What are the key properties of (1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 417.53 g/mol, XLogP of 4.57, 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-phenyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10273469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).