(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol

C23H21ClN4OS — CID 87975327

IUPAC(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
SMILESO[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C23H21ClN4OS/c24-22-8-7-18(13-27-22)21(29)14-26-11-9-16-3-5-17(6-4-16)20-15-30-23(28-20)19-2-1-10-25-12-19/h1-8,10,12-13,15,21,26,29H,9,11,14H2/t21-/m0/s1
InChIKeySVEGUAOBJGHPLH-NRFANRHFSA-N
MW436.97 g/mol
LogP4.79
Rot. Bonds8

About (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol

(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol (PubChem CID 87975327) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
PubChem CID87975327
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
SMILESO[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C23H21ClN4OS/c24-22-8-7-18(13-27-22)21(29)14-26-11-9-16-3-5-17(6-4-16)20-15-30-23(28-20)19-2-1-10-25-12-19/h1-8,10,12-13,15,21,26,29H,9,11,14H2/t21-/m0/s1
InChIKeySVEGUAOBJGHPLH-NRFANRHFSA-N
XLogP4.79
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87976518
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 87975624
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
(1R)-1-pyridin-3-yl-2-[2-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10116979
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
CID 20636847
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 10114560
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(1-pyrazin-2-ylethyl)benzamide
CID 123180607
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 10201549

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol?
The IUPAC name of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol (CID 87975327) is (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol?
The canonical SMILES for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol is O[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol?
The InChIKey is SVEGUAOBJGHPLH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c24-22-8-7-18(13-27-22)21(29)14-26-11-9-16-3-5-17(6-4-16)20-15-30-23(28-20)19-2-1-10-25-12-19/h1-8,10,12-13,15,21,26,29H,9,11,14H2/t21-/m0/s1.
What are the key properties of (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol?
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol has a molecular weight of 436.97 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol is sourced from PubChem (CID 87975327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).