2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C20H19N3O3S — CID 108770816

IUPAC2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESC=CCOc1ccccc1OCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H19N3O3S/c1-2-11-25-17-8-3-4-9-18(17)26-13-19(24)22-12-15-14-27-20(23-15)16-7-5-6-10-21-16/h2-10,14H,1,11-13H2,(H,22,24)
InChIKeyZDXCMMWKPUELDR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.47
Rot. Bonds9

About 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108770816) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108770816
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESC=CCOc1ccccc1OCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C20H19N3O3S/c1-2-11-25-17-8-3-4-9-18(17)26-13-19(24)22-12-15-14-27-20(23-15)16-7-5-6-10-21-16/h2-10,14H,1,11-13H2,(H,22,24)
InChIKeyZDXCMMWKPUELDR-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-prop-2-enoxyphenoxy)-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770444
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17435695
1-prop-2-enyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thiourea
CID 108784318
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354
N-[(2-phenylmethoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55806343
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108770816) is 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is C=CCOc1ccccc1OCC(=O)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is ZDXCMMWKPUELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-11-25-17-8-3-4-9-18(17)26-13-19(24)22-12-15-14-27-20(23-15)16-7-5-6-10-21-16/h2-10,14H,1,11-13H2,(H,22,24).
What are the key properties of 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108770816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).