2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C15H18N2O3S — CID 49356856

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-19-12-4-3-11(9-13(12)20-2)10-14(18)16-6-5-15-17-7-8-21-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,16,18)
InChIKeyARHJCBMGPYKRID-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.06
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 49356856) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID49356856
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-19-12-4-3-11(9-13(12)20-2)10-14(18)16-6-5-15-17-7-8-21-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,16,18)
InChIKeyARHJCBMGPYKRID-UHFFFAOYSA-N
XLogP2.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 49356856) is 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2nccs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is ARHJCBMGPYKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-19-12-4-3-11(9-13(12)20-2)10-14(18)16-6-5-15-17-7-8-21-15/h3-4,7-9H,5-6,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 49356856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).