ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C18H20N2O4S — CID 2970988

IUPACethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H20N2O4S/c1-2-23-17(22)9-14-11-25-18(19-14)20-16(21)10-24-15-7-6-12-4-3-5-13(12)8-15/h6-8,11H,2-5,9-10H2,1H3,(H,19,20,21)
InChIKeyDPSNXHZMAABUQO-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.75
Rot. Bonds7

About ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2970988) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID2970988
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Nameethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C18H20N2O4S/c1-2-23-17(22)9-14-11-25-18(19-14)20-16(21)10-24-15-7-6-12-4-3-5-13(12)8-15/h6-8,11H,2-5,9-10H2,1H3,(H,19,20,21)
InChIKeyDPSNXHZMAABUQO-UHFFFAOYSA-N
XLogP2.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
{2-[3-(4-Methoxy-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 707195
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
ethyl 2-(2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 1078094
Ethyl (2-{[(2-ethoxyphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1192514
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
{2-[2-(Naphthalen-2-yloxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3146020
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2679158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 2970988) is ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1.
What is the InChIKey of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DPSNXHZMAABUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-23-17(22)9-14-11-25-18(19-14)20-16(21)10-24-15-7-6-12-4-3-5-13(12)8-15/h6-8,11H,2-5,9-10H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2970988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).