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

C15H18N2O2S — CID 110746438

IUPAC2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-19-13-6-4-12(5-7-13)8-14(18)16-9-15-17-11(2)10-20-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyMHAVCBVLWICRNF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.71
Rot. Bonds6

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

2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110746438) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110746438
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-19-13-6-4-12(5-7-13)8-14(18)16-9-15-17-11(2)10-20-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyMHAVCBVLWICRNF-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244752
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide
CID 110401704
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110436537
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
2-[[4-(4-ethoxyphenoxy)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245291

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 110746438) is 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2nc(C)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is MHAVCBVLWICRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-19-13-6-4-12(5-7-13)8-14(18)16-9-15-17-11(2)10-20-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110746438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).