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

C19H21N3O2S — CID 10132882

IUPAC(1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1
InChIInChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
InChIKeyMPBSKGHZYFSSQJ-IBGZPJMESA-N
MW355.46 g/mol
LogP3.22
Rot. Bonds8

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

(1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (PubChem CID 10132882) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name(1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
PubChem CID10132882
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol
SMILESCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1
InChIInChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1
InChIKeyMPBSKGHZYFSSQJ-IBGZPJMESA-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 (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The IUPAC name of (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol (CID 10132882) is (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1.
What is the InChIKey of (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
The InChIKey is MPBSKGHZYFSSQJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-22-18(13-25-14)15-4-6-17(7-5-15)24-10-9-21-12-19(23)16-3-2-8-20-11-16/h2-8,11,13,19,21,23H,9-10,12H2,1H3/t19-/m0/s1.
What are the key properties of (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol?
(1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-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 (1R)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 10132882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).