2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide

C18H17N3O2S — CID 7152316

IUPAC2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H17N3O2S/c22-17(12-23-16-6-2-1-3-7-16)20-10-8-15-13-24-18(21-15)14-5-4-9-19-11-14/h1-7,9,11,13H,8,10,12H2,(H,20,22)
InChIKeyWHLQOGWIKNHVBL-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.94
Rot. Bonds7

About 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 7152316) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID7152316
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H17N3O2S/c22-17(12-23-16-6-2-1-3-7-16)20-10-8-15-13-24-18(21-15)14-5-4-9-19-11-14/h1-7,9,11,13H,8,10,12H2,(H,20,22)
InChIKeyWHLQOGWIKNHVBL-UHFFFAOYSA-N
XLogP2.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Fluorophenoxy)-N-[4-(pyridin-2-YL)-1,3-thiazol-2-YL]acetamide
CID 2660519
2-(2-Fluorophenoxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4803466
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
2-(4-chlorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 4432169
(R)-2-(2-(4-(2-ethylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9947512
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(pyridin-4-yl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10112744
(R)-2-(2-(4-(2-methylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10132882
(R)-2-(2-(4-(2-cyclopentylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10136220
(R)-1-(pyridin-3-yl)-2-(2-(4-(2-(trifluoromethyl)thiazol-4-yl)phenoxy)ethylamino)ethanol
CID 10201549
(R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10273469

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 7152316) is 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(COc1ccccc1)NCCc1csc(-c2cccnc2)n1.
What is the InChIKey of 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is WHLQOGWIKNHVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(12-23-16-6-2-1-3-7-16)20-10-8-15-13-24-18(21-15)14-5-4-9-19-11-14/h1-7,9,11,13H,8,10,12H2,(H,20,22).
What are the key properties of 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 7152316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).