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

C14H17N3O2S — CID 46396677

IUPAC2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCOCC(=O)N(CCc1cscn1)Cc1cccnc1
InChIInChI=1S/C14H17N3O2S/c1-19-9-14(18)17(6-4-13-10-20-11-16-13)8-12-3-2-5-15-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyHIMZGKRDWZNCAD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds7

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

2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 46396677) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID46396677
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCOCC(=O)N(CCc1cscn1)Cc1cccnc1
InChIInChI=1S/C14H17N3O2S/c1-19-9-14(18)17(6-4-13-10-20-11-16-13)8-12-3-2-5-15-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3
InChIKeyHIMZGKRDWZNCAD-UHFFFAOYSA-N
XLogP1.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-[propanoyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82323263
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
2-cyclopentyloxy-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558468
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
2-(4-fluorophenyl)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305024
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 46396677) is 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is COCC(=O)N(CCc1cscn1)Cc1cccnc1.
What is the InChIKey of 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is HIMZGKRDWZNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-9-14(18)17(6-4-13-10-20-11-16-13)8-12-3-2-5-15-7-12/h2-3,5,7,10-11H,4,6,8-9H2,1H3.
What are the key properties of 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyridin-3-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 46396677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).