ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate

C17H15NO5S — CID 912979

IUPACethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1
InChIInChI=1S/C17H15NO5S/c1-3-21-15(19)7-22-11-4-5-12-14(6-11)23-10(2)16(17(12)20)13-8-24-9-18-13/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZOXCAUZSYLWIGU-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate

ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate (PubChem CID 912979) has the molecular formula C17H15NO5S and a molecular weight of 345.38 g/mol. Its IUPAC name is ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
PubChem CID912979
Molecular FormulaC17H15NO5S
Molecular Weight345.38 g/mol
Exact Mass345.07
IUPAC Nameethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
SMILESCCOC(=O)COc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1
InChIInChI=1S/C17H15NO5S/c1-3-21-15(19)7-22-11-4-5-12-14(6-11)23-10(2)16(17(12)20)13-8-24-9-18-13/h4-6,8-9H,3,7H2,1-2H3
InChIKeyZOXCAUZSYLWIGU-UHFFFAOYSA-N
XLogP3.17
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-hydroxy-2-methyl-3-(1,3-thiazol-4-yl)chromen-4-one
CID 5420834
[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyoxan-2-yl]methyl acetate
CID 124899845
2-[2-(3,4-dimethoxyphenyl)ethenyl]-7-ethoxy-3-(1,3-thiazol-4-yl)chromen-4-one
CID 5024825
2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
CID 1309838
benzyl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 3530480
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
ethyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetate
CID 2055070
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 23854701
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
3-(2-methoxyphenyl)-2-methyl-7-(2-methylprop-2-enoxy)chromen-4-one
CID 889835
ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1323662
ethyl 2-(4-methyl-2-oxo-3-undecylchromen-7-yl)oxyacetate
CID 146164206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate (CID 912979) is ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate is CCOC(=O)COc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1.
What is the InChIKey of ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate?
The InChIKey is ZOXCAUZSYLWIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5S/c1-3-21-15(19)7-22-11-4-5-12-14(6-11)23-10(2)16(17(12)20)13-8-24-9-18-13/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate?
ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate has a molecular weight of 345.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate is sourced from PubChem (CID 912979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).