ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C23H22N2O6S — CID 2416888

IUPACethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccccc2O)nc1C
InChIInChI=1S/C23H22N2O6S/c1-3-30-22(29)20-15(2)24-23(32-20)25(13-16-9-5-4-6-10-16)19(27)14-31-21(28)17-11-7-8-12-18(17)26/h4-12,26H,3,13-14H2,1-2H3
InChIKeySXPOFERGVUGNSO-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.72
Rot. Bonds8

About ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2416888) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2416888
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Nameethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccccc2O)nc1C
InChIInChI=1S/C23H22N2O6S/c1-3-30-22(29)20-15(2)24-23(32-20)25(13-16-9-5-4-6-10-16)19(27)14-31-21(28)17-11-7-8-12-18(17)26/h4-12,26H,3,13-14H2,1-2H3
InChIKeySXPOFERGVUGNSO-UHFFFAOYSA-N
XLogP3.72
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 2-[benzyl-[2-(4-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2387818
methyl 2-[1-(3-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4526079
methyl 2-[1-(4-ethylphenyl)-7-fluoro-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15991337
[2-[1,3-Benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 4790320
ethyl 2-[7-fluoro-1-(3-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3443012
methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4524696
methyl 2-[1-[4-(methoxycarbonyl)phenyl]-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4526078
methyl 2-[1-(4-methoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15991325
ethyl 2-[1-(4-tert-butylphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3665216
ethyl 2-[1-(3-hydroxyphenyl)-6,7-dimethyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3261395
methyl 2-[1-(3-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3664880
ethyl 2-[3,9-dioxo-1-(4-propoxyphenyl)-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3673762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2416888) is ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2ccccc2O)nc1C.
What is the InChIKey of ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SXPOFERGVUGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-3-30-22(29)20-15(2)24-23(32-20)25(13-16-9-5-4-6-10-16)19(27)14-31-21(28)17-11-7-8-12-18(17)26/h4-12,26H,3,13-14H2,1-2H3.
What are the key properties of ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 454.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-(2-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2416888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).