[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

C23H18N2O7S — CID 4558341

IUPAC[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC
InChIInChI=1S/C23H18N2O7S/c1-29-18-8-7-13(9-19(18)30-2)15-12-33-23(24-15)25-21(27)11-31-22(28)20-10-16(26)14-5-3-4-6-17(14)32-20/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyNYKYHPFJPVDGHW-UHFFFAOYSA-N
MW466.47 g/mol
LogP3.73
Rot. Bonds7

About [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 4558341) has the molecular formula C23H18N2O7S and a molecular weight of 466.47 g/mol. Its IUPAC name is [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID4558341
Molecular FormulaC23H18N2O7S
Molecular Weight466.47 g/mol
Exact Mass466.08
IUPAC Name[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC
InChIInChI=1S/C23H18N2O7S/c1-29-18-8-7-13(9-19(18)30-2)15-12-33-23(24-15)25-21(27)11-31-22(28)20-10-16(26)14-5-3-4-6-17(14)32-20/h3-10,12H,11H2,1-2H3,(H,24,25,27)
InChIKeyNYKYHPFJPVDGHW-UHFFFAOYSA-N
XLogP3.73
TPSA116.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate with MolForge

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Related Compounds

[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23849618
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 23739845
N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
CID 35337837
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590659
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2590779
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 9080174
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 3913150

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 4558341) is [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is COc1ccc(-c2csc(NC(=O)COC(=O)c3cc(=O)c4ccccc4o3)n2)cc1OC.
What is the InChIKey of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is NYKYHPFJPVDGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O7S/c1-29-18-8-7-13(9-19(18)30-2)15-12-33-23(24-15)25-21(27)11-31-22(28)20-10-16(26)14-5-3-4-6-17(14)32-20/h3-10,12H,11H2,1-2H3,(H,24,25,27).
What are the key properties of [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 466.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 4558341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).