ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C23H20F2N2O5S — CID 16523299

IUPACethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2c(F)cccc2F)nc1C
InChIInChI=1S/C23H20F2N2O5S/c1-3-31-22(30)20-14(2)26-23(33-20)27(12-15-8-5-4-6-9-15)18(28)13-32-21(29)19-16(24)10-7-11-17(19)25/h4-11H,3,12-13H2,1-2H3
InChIKeyICDWAJSPRVRKMZ-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.30
Rot. Bonds8

About ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 16523299) has the molecular formula C23H20F2N2O5S and a molecular weight of 474.49 g/mol. Its IUPAC name is ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID16523299
Molecular FormulaC23H20F2N2O5S
Molecular Weight474.49 g/mol
Exact Mass474.11
IUPAC Nameethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2c(F)cccc2F)nc1C
InChIInChI=1S/C23H20F2N2O5S/c1-3-31-22(30)20-14(2)26-23(33-20)27(12-15-8-5-4-6-9-15)18(28)13-32-21(29)19-16(24)10-7-11-17(19)25/h4-11H,3,12-13H2,1-2H3
InChIKeyICDWAJSPRVRKMZ-UHFFFAOYSA-N
XLogP4.30
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[benzyl-[2-(2-fluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2511357
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CID 43028921
ethyl 2-[benzyl-[2-(2-methylsulfanylpyridine-3-carbonyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3991701
ethyl 2-[benzyl-[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 31168711
ethyl 2-[benzyl-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 31168714
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CID 55758558
ethyl 2-[benzyl-[2-(trifluoromethylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55668327
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CID 4546439
ethyl 2-[benzyl-[2-[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4838128
ethyl 2-[benzyl-[2-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2390390
ethyl 2-[[2-[(E)-but-2-enoyl]oxyacetyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9080687
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 16523299) is ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)COC(=O)c2c(F)cccc2F)nc1C.
What is the InChIKey of ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ICDWAJSPRVRKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O5S/c1-3-31-22(30)20-14(2)26-23(33-20)27(12-15-8-5-4-6-9-15)18(28)13-32-21(29)19-16(24)10-7-11-17(19)25/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 474.49 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).