ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate

C19H18N2O6S — CID 1078094

IUPACethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C19H18N2O6S/c1-3-25-17(23)7-12-10-28-19(20-12)21-16(22)9-26-13-4-5-14-11(2)6-18(24)27-15(14)8-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,20,21,22)
InChIKeyQFNGSSPVKXWOFB-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.68
Rot. Bonds7

About ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1078094) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1078094
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC Nameethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C19H18N2O6S/c1-3-25-17(23)7-12-10-28-19(20-12)21-16(22)9-26-13-4-5-14-11(2)6-18(24)27-15(14)8-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,20,21,22)
InChIKeyQFNGSSPVKXWOFB-UHFFFAOYSA-N
XLogP2.68
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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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
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8057412
2-((2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8071374
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
{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-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2092670
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-1,3-thiazol-2-ylpropanamide
CID 2969827
{2-[2-(Naphthalen-2-yloxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3146020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1078094) is ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QFNGSSPVKXWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-3-25-17(23)7-12-10-28-19(20-12)21-16(22)9-26-13-4-5-14-11(2)6-18(24)27-15(14)8-13/h4-6,8,10H,3,7,9H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 402.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1078094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).