[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

C22H21FN2O3S — CID 8626275

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)OCC(=O)NCc3ccccc3F)cs2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-2-15-7-9-16(10-8-15)22-25-18(14-29-22)11-21(27)28-13-20(26)24-12-17-5-3-4-6-19(17)23/h3-10,14H,2,11-13H2,1H3,(H,24,26)
InChIKeyGOADNFNBYZOWIV-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.91
Rot. Bonds8

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8626275) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8626275
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCc1ccc(-c2nc(CC(=O)OCC(=O)NCc3ccccc3F)cs2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-2-15-7-9-16(10-8-15)22-25-18(14-29-22)11-21(27)28-13-20(26)24-12-17-5-3-4-6-19(17)23/h3-10,14H,2,11-13H2,1H3,(H,24,26)
InChIKeyGOADNFNBYZOWIV-UHFFFAOYSA-N
XLogP3.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610010
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 30802581
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130912
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610291
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919250
[2-(N-methylanilino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8609749
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610364
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610179
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837954

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate (CID 8626275) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is CCc1ccc(-c2nc(CC(=O)OCC(=O)NCc3ccccc3F)cs2)cc1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is GOADNFNBYZOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-2-15-7-9-16(10-8-15)22-25-18(14-29-22)11-21(27)28-13-20(26)24-12-17-5-3-4-6-19(17)23/h3-10,14H,2,11-13H2,1H3,(H,24,26).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 412.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8626275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).