ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H16N2O6S — CID 6493294

IUPACethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc3c(c2)OCO3)nc1C
InChIInChI=1S/C16H16N2O6S/c1-3-21-15(20)14-9(2)17-16(25-14)18-13(19)7-22-10-4-5-11-12(6-10)24-8-23-11/h4-6H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFHBPXDDZXAKHSM-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.37
Rot. Bonds6

About ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 6493294) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID6493294
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Nameethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc3c(c2)OCO3)nc1C
InChIInChI=1S/C16H16N2O6S/c1-3-21-15(20)14-9(2)17-16(25-14)18-13(19)7-22-10-4-5-11-12(6-10)24-8-23-11/h4-6H,3,7-8H2,1-2H3,(H,17,18,19)
InChIKeyFHBPXDDZXAKHSM-UHFFFAOYSA-N
XLogP2.37
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
Methyl 2-[2-(2-methoxyphenoxy)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
CID 805985
Ethyl 2-{[(4-fluorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 727311
Methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 805894
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 45147873
Ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 139229525
Ethyl 2-{[2-(4-methoxyphenoxy)propanoyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2789610
Ethyl 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266860
Ethyl 4-methyl-2-(2-phenoxyacetamido)-1,3-thiazole-5-carboxylate
CID 824120
Methyl 2-{[(2-fluorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 2253010
Ethyl 2-{[(2-fluorophenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 805578
2-(1,3-benzodioxol-5-yloxy)-N-[4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 87418537

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 6493294) is ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc3c(c2)OCO3)nc1C.
What is the InChIKey of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FHBPXDDZXAKHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-3-21-15(20)14-9(2)17-16(25-14)18-13(19)7-22-10-4-5-11-12(6-10)24-8-23-11/h4-6H,3,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 364.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6493294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).