methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate

C21H22N2O4S2 — CID 46671606

IUPACmethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCOc1ccc(-c2nc(CC(=O)NC(CC(=O)OC)c3cccs3)cs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-3-27-16-8-6-14(7-9-16)21-22-15(13-29-21)11-19(24)23-17(12-20(25)26-2)18-5-4-10-28-18/h4-10,13,17H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyKROZLFPLYBVJHR-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.23
Rot. Bonds9

About methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate

methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 46671606) has the molecular formula C21H22N2O4S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID46671606
Molecular FormulaC21H22N2O4S2
Molecular Weight430.55 g/mol
Exact Mass430.10
IUPAC Namemethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
SMILESCCOc1ccc(-c2nc(CC(=O)NC(CC(=O)OC)c3cccs3)cs2)cc1
InChIInChI=1S/C21H22N2O4S2/c1-3-27-16-8-6-14(7-9-16)21-22-15(13-29-21)11-19(24)23-17(12-20(25)26-2)18-5-4-10-28-18/h4-10,13,17H,3,11-12H2,1-2H3,(H,23,24)
InChIKeyKROZLFPLYBVJHR-UHFFFAOYSA-N
XLogP4.23
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 51112274
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 55658227
N-(3-acetamidophenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46584283
2-[[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253437
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46586964
methyl (3S)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175254
methyl (3R)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175255

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate (CID 46671606) is methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate is CCOc1ccc(-c2nc(CC(=O)NC(CC(=O)OC)c3cccs3)cs2)cc1.
What is the InChIKey of methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is KROZLFPLYBVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S2/c1-3-27-16-8-6-14(7-9-16)21-22-15(13-29-21)11-19(24)23-17(12-20(25)26-2)18-5-4-10-28-18/h4-10,13,17H,3,11-12H2,1-2H3,(H,23,24).
What are the key properties of methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 430.55 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 46671606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).