ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate

C16H12N2O5S — CID 3386436

IUPACethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C16H12N2O5S/c1-2-22-15(21)10-8-24-16(17-10)18-14(20)13-7-11(19)9-5-3-4-6-12(9)23-13/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyZRLOCSQMFPEEOG-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.68
Rot. Bonds4

About ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 3386436) has the molecular formula C16H12N2O5S and a molecular weight of 344.35 g/mol. Its IUPAC name is ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID3386436
Molecular FormulaC16H12N2O5S
Molecular Weight344.35 g/mol
Exact Mass344.05
IUPAC Nameethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C16H12N2O5S/c1-2-22-15(21)10-8-24-16(17-10)18-14(20)13-7-11(19)9-5-3-4-6-12(9)23-13/h3-8H,2H2,1H3,(H,17,18,20)
InChIKeyZRLOCSQMFPEEOG-UHFFFAOYSA-N
XLogP2.68
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(benzofuran-2-carboxamido)thiazole-4-carboxylate
CID 2308234
Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982
4-oxo-N-(4-phenylthiazol-2-yl)-4H-chromene-2-carboxamide
CID 746084
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2092670
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 2706468
N-(4-(4-fluorophenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3392320
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4119913
4-oxo-N-(4-(p-tolyl)thiazol-2-yl)-4H-chromene-2-carboxamide
CID 5146842
4-oxo-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]chromene-2-carboxamide
CID 168273387
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 2101250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 3386436) is ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(=O)c3ccccc3o2)n1.
What is the InChIKey of ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZRLOCSQMFPEEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5S/c1-2-22-15(21)10-8-24-16(17-10)18-14(20)13-7-11(19)9-5-3-4-6-12(9)23-13/h3-8H,2H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 344.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3386436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).