[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C21H21N3O4S — CID 16524347

IUPAC[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C21H21N3O4S/c1-3-14-7-9-15(10-8-14)17-13-29-21(23-17)24-18(25)12-28-20(26)16-6-5-11-22-19(16)27-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,24,25)
InChIKeyDJZVGFDOYPSOPZ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.96
Rot. Bonds8

About [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 16524347) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID16524347
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1
InChIInChI=1S/C21H21N3O4S/c1-3-14-7-9-15(10-8-14)17-13-29-21(23-17)24-18(25)12-28-20(26)16-6-5-11-22-19(16)27-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,24,25)
InChIKeyDJZVGFDOYPSOPZ-UHFFFAOYSA-N
XLogP3.96
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate with MolForge

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967461
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2404132
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 55699309
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359410
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 16543892
2-(3-chlorophenoxy)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16549939
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011505
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-phenylbutanoate
CID 16504388
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 16524347) is [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1nc(-c2ccc(CC)cc2)cs1.
What is the InChIKey of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is DJZVGFDOYPSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-14-7-9-15(10-8-14)17-13-29-21(23-17)24-18(25)12-28-20(26)16-6-5-11-22-19(16)27-4-2/h5-11,13H,3-4,12H2,1-2H3,(H,23,24,25).
What are the key properties of [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 16524347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).