2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C20H21N3O3S — CID 31816208

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)NCc3ccnc(OC)c3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-17-6-4-15(5-7-17)20-23-16(13-27-20)11-18(24)22-12-14-8-9-21-19(10-14)25-2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyUJZHLYXMXXUMLS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 31816208) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID31816208
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCCOc1ccc(-c2nc(CC(=O)NCc3ccnc(OC)c3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-17-6-4-15(5-7-17)20-23-16(13-27-20)11-18(24)22-12-14-8-9-21-19(10-14)25-2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24)
InChIKeyUJZHLYXMXXUMLS-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 31816208) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is CCOc1ccc(-c2nc(CC(=O)NCc3ccnc(OC)c3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is UJZHLYXMXXUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-17-6-4-15(5-7-17)20-23-16(13-27-20)11-18(24)22-12-14-8-9-21-19(10-14)25-2/h4-10,13H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 31816208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).