2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide

C20H21N3O2S — CID 110341861

IUPAC2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC(C)c3ccccc3)cs2)cn1
InChIInChI=1S/C20H21N3O2S/c1-14-8-9-18(11-21-14)25-12-20-23-17(13-26-20)10-19(24)22-15(2)16-6-4-3-5-7-16/h3-9,11,13,15H,10,12H2,1-2H3,(H,22,24)
InChIKeyKBDMJMGUTKKULG-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds7

About 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide (PubChem CID 110341861) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
PubChem CID110341861
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NC(C)c3ccccc3)cs2)cn1
InChIInChI=1S/C20H21N3O2S/c1-14-8-9-18(11-21-14)25-12-20-23-17(13-26-20)10-19(24)22-15(2)16-6-4-3-5-7-16/h3-9,11,13,15H,10,12H2,1-2H3,(H,22,24)
InChIKeyKBDMJMGUTKKULG-UHFFFAOYSA-N
XLogP3.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 110341832
N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341908
2-[2-[(4-ethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 46266194
N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
N-propan-2-yl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342044
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110341871
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572732
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide (CID 110341861) is 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide is Cc1ccc(OCc2nc(CC(=O)NC(C)c3ccccc3)cs2)cn1.
What is the InChIKey of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is KBDMJMGUTKKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-8-9-18(11-21-14)25-12-20-23-17(13-26-20)10-19(24)22-15(2)16-6-4-3-5-7-16/h3-9,11,13,15H,10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide?
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 110341861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).