1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol

C19H20ClN3O2S — CID 20636847

IUPAC1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
SMILESCc1csc(-c2ccc(OCCNCC(O)c3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C19H20ClN3O2S/c1-13-12-26-19(23-13)14-2-5-16(6-3-14)25-9-8-21-11-17(24)15-4-7-18(20)22-10-15/h2-7,10,12,17,21,24H,8-9,11H2,1H3
InChIKeyHBNKESVAWNKUKZ-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.87
Rot. Bonds8

About 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol

1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol (PubChem CID 20636847) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
PubChem CID20636847
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol
SMILESCc1csc(-c2ccc(OCCNCC(O)c3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C19H20ClN3O2S/c1-13-12-26-19(23-13)14-2-5-16(6-3-14)25-9-8-21-11-17(24)15-4-7-18(20)22-10-15/h2-7,10,12,17,21,24H,8-9,11H2,1H3
InChIKeyHBNKESVAWNKUKZ-UHFFFAOYSA-N
XLogP3.87
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.87
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 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
CID 87975624
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenoxy]ethylamino]ethanol
CID 87975517
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87976518
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 62598247
(1R)-1-pyridin-3-yl-2-[2-[4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenoxy]ethylamino]ethanol
CID 10116979
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
2-[4-[4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethoxy]phenyl]-1,3-oxazol-2-yl]-N,N-di(propan-2-yl)acetamide
CID 22560774
(1R)-1-(6-chloro-3-pyridinyl)-2-[2-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]ethylamino]ethanol
CID 87975327
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethyl]cyclopentanamine
CID 62597912
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 10114560
4-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570309
(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 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol (CID 20636847) is 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol is Cc1csc(-c2ccc(OCCNCC(O)c3ccc(Cl)nc3)cc2)n1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol?
The InChIKey is HBNKESVAWNKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-13-12-26-19(23-13)14-2-5-16(6-3-14)25-9-8-21-11-17(24)15-4-7-18(20)22-10-15/h2-7,10,12,17,21,24H,8-9,11H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol?
1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol has a molecular weight of 389.91 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]ethanol is sourced from PubChem (CID 20636847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).