benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate

C20H17FN2O3S — CID 18271955

IUPACbenzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-16-8-6-15(7-9-16)20-23-17(13-27-20)10-18(24)22-11-19(25)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,24)
InChIKeyIPGQXOXEXJMSDJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.35
Rot. Bonds7

About benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate

benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 18271955) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID18271955
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Namebenzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESO=C(Cc1csc(-c2ccc(F)cc2)n1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-16-8-6-15(7-9-16)20-23-17(13-27-20)10-18(24)22-11-19(25)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,24)
InChIKeyIPGQXOXEXJMSDJ-UHFFFAOYSA-N
XLogP3.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
benzyl 2-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 18282128
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884944
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 18271955) is benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is O=C(Cc1csc(-c2ccc(F)cc2)n1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is IPGQXOXEXJMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-16-8-6-15(7-9-16)20-23-17(13-27-20)10-18(24)22-11-19(25)26-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,22,24).
What are the key properties of benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 384.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 18271955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).