ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate

C21H22N2O4S2 — CID 55487030

IUPACethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1C
InChIInChI=1S/C21H22N2O4S2/c1-4-26-16-9-7-6-8-15(16)20-22-14(12-28-20)11-17(24)23-18-10-13(3)19(29-18)21(25)27-5-2/h6-10,12H,4-5,11H2,1-3H3,(H,23,24)
InChIKeyWMPQYJIOQJZFMJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.94
Rot. Bonds8

About ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 55487030) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID55487030
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Nameethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1C
InChIInChI=1S/C21H22N2O4S2/c1-4-26-16-9-7-6-8-15(16)20-22-14(12-28-20)11-17(24)23-18-10-13(3)19(29-18)21(25)27-5-2/h6-10,12H,4-5,11H2,1-3H3,(H,23,24)
InChIKeyWMPQYJIOQJZFMJ-UHFFFAOYSA-N
XLogP4.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-fluoro-4-methylphenyl)acetamide
CID 16591781
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
methyl 3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylbenzoate
CID 24684242
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
3-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732560
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16600867
N-[4-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24644210
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16593803
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate (CID 55487030) is ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1C.
What is the InChIKey of ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is WMPQYJIOQJZFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-4-26-16-9-7-6-8-15(16)20-22-14(12-28-20)11-17(24)23-18-10-13(3)19(29-18)21(25)27-5-2/h6-10,12H,4-5,11H2,1-3H3,(H,23,24).
What are the key properties of ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 55487030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).