2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide

C22H19N3O2S — CID 16594941

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc3ncccc23)cs1
InChIInChI=1S/C22H19N3O2S/c1-2-27-20-11-4-3-7-17(20)22-24-15(14-28-22)13-21(26)25-19-10-5-9-18-16(19)8-6-12-23-18/h3-12,14H,2,13H2,1H3,(H,25,26)
InChIKeyMVPPWZBYQTYTCS-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.94
Rot. Bonds6

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide (PubChem CID 16594941) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
PubChem CID16594941
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)Nc2cccc3ncccc23)cs1
InChIInChI=1S/C22H19N3O2S/c1-2-27-20-11-4-3-7-17(20)22-24-15(14-28-22)13-21(26)25-19-10-5-9-18-16(19)8-6-12-23-18/h3-12,14H,2,13H2,1H3,(H,25,26)
InChIKeyMVPPWZBYQTYTCS-UHFFFAOYSA-N
XLogP4.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18139498
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
CID 24684242
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 47091926
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16595013
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide (CID 16594941) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide is CCOc1ccccc1-c1nc(CC(=O)Nc2cccc3ncccc23)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide?
The InChIKey is MVPPWZBYQTYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-2-27-20-11-4-3-7-17(20)22-24-15(14-28-22)13-21(26)25-19-10-5-9-18-16(19)8-6-12-23-18/h3-12,14H,2,13H2,1H3,(H,25,26).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide has a molecular weight of 389.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 16594941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).