[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate

C20H18N2O6S — CID 7789796

IUPAC[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3cccc(O)c3)n2)c1
InChIInChI=1S/C20H18N2O6S/c1-26-14-6-7-17(27-2)15(9-14)16-11-29-20(21-16)22-18(24)10-28-19(25)12-4-3-5-13(23)8-12/h3-9,11,23H,10H2,1-2H3,(H,21,22,24)
InChIKeyCVVFEJCVHFVQFO-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.33
Rot. Bonds7

About [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate

[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7789796) has the molecular formula C20H18N2O6S and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7789796
Molecular FormulaC20H18N2O6S
Molecular Weight414.44 g/mol
Exact Mass414.09
IUPAC Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3cccc(O)c3)n2)c1
InChIInChI=1S/C20H18N2O6S/c1-26-14-6-7-17(27-2)15(9-14)16-11-29-20(21-16)22-18(24)10-28-19(25)12-4-3-5-13(23)8-12/h3-9,11,23H,10H2,1-2H3,(H,21,22,24)
InChIKeyCVVFEJCVHFVQFO-UHFFFAOYSA-N
XLogP3.33
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indazole-6-carboxylate
CID 33057649
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950691
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548314
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(tetrazol-1-yl)thiophene-2-carboxylate
CID 55704915
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 30434474
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate (CID 7789796) is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate is COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3cccc(O)c3)n2)c1.
What is the InChIKey of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is CVVFEJCVHFVQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S/c1-26-14-6-7-17(27-2)15(9-14)16-11-29-20(21-16)22-18(24)10-28-19(25)12-4-3-5-13(23)8-12/h3-9,11,23H,10H2,1-2H3,(H,21,22,24).
What are the key properties of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate?
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 414.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7789796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).