ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C17H14N2O5S — CID 3548924

IUPACethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C17H14N2O5S/c1-2-23-15(21)7-10-9-25-17(18-10)19-16(22)14-8-12(20)11-5-3-4-6-13(11)24-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,22)
InChIKeyGHZHRMPDHBKSMK-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.61
Rot. Bonds5

About ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3548924) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID3548924
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Nameethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C17H14N2O5S/c1-2-23-15(21)7-10-9-25-17(18-10)19-16(22)14-8-12(20)11-5-3-4-6-13(11)24-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,22)
InChIKeyGHZHRMPDHBKSMK-UHFFFAOYSA-N
XLogP2.61
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
Ethyl 2-[(2-ethoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3149826
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
{2-[3-(4-Methoxy-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 707195
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
ethyl 2-(2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 1078094
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
2,6-dimethoxy-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2335842

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 3548924) is ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1.
What is the InChIKey of ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is GHZHRMPDHBKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-2-23-15(21)7-10-9-25-17(18-10)19-16(22)14-8-12(20)11-5-3-4-6-13(11)24-14/h3-6,8-9H,2,7H2,1H3,(H,18,19,22).
What are the key properties of ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 358.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3548924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).