[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C19H15FN2O4S — CID 86863260

IUPAC[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESNC(=O)COc1cccc(COC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H15FN2O4S/c20-14-6-4-13(5-7-14)18-22-16(11-27-18)19(24)26-9-12-2-1-3-15(8-12)25-10-17(21)23/h1-8,11H,9-10H2,(H2,21,23)
InChIKeyQUFJLZJBBCNOBW-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.17
Rot. Bonds7

About [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 86863260) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID86863260
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESNC(=O)COc1cccc(COC(=O)c2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H15FN2O4S/c20-14-6-4-13(5-7-14)18-22-16(11-27-18)19(24)26-9-12-2-1-3-15(8-12)25-10-17(21)23/h1-8,11H,9-10H2,(H2,21,23)
InChIKeyQUFJLZJBBCNOBW-UHFFFAOYSA-N
XLogP3.17
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824573
(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 167973884
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824642
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 8807138
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837874

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 86863260) is [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is NC(=O)COc1cccc(COC(=O)c2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QUFJLZJBBCNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-14-6-4-13(5-7-14)18-22-16(11-27-18)19(24)26-9-12-2-1-3-15(8-12)25-10-17(21)23/h1-8,11H,9-10H2,(H2,21,23).
What are the key properties of [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-2-oxoethoxy)phenyl]methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86863260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).