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

C19H21N3O2S — CID 18523634

IUPAC2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1csc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)n1
InChIInChI=1S/C19H21N3O2S/c1-14-13-25-19(22-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3
InChIKeyOZSPKDZSHQWYSG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.22
Rot. Bonds8

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

2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 18523634) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID18523634
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1csc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)n1
InChIInChI=1S/C19H21N3O2S/c1-14-13-25-19(22-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3
InChIKeyOZSPKDZSHQWYSG-UHFFFAOYSA-N
XLogP3.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.22
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 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 18523634) is 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is Cc1csc(-c2ccc(OCCNCC(O)c3cccnc3)cc2)n1.
What is the InChIKey of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is OZSPKDZSHQWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-13-25-19(22-14)15-4-6-17(7-5-15)24-10-9-21-12-18(23)16-3-2-8-20-11-16/h2-8,11,13,18,21,23H,9-10,12H2,1H3.
What are the key properties of 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol has a molecular weight of 355.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 18523634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).