[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C17H13FN2O3S2 — CID 41469825

IUPAC[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESNC(=O)[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S2/c18-11-5-3-10(4-6-11)15(16(19)22)23-14(21)8-12-9-25-17(20-12)13-2-1-7-24-13/h1-7,9,15H,8H2,(H2,19,22)/t15-/m1/s1
InChIKeyVEIWRWXEVDOJLA-OAHLLOKOSA-N
MW376.43 g/mol
LogP3.32
Rot. Bonds6

About [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 41469825) has the molecular formula C17H13FN2O3S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID41469825
Molecular FormulaC17H13FN2O3S2
Molecular Weight376.43 g/mol
Exact Mass376.04
IUPAC Name[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESNC(=O)[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S2/c18-11-5-3-10(4-6-11)15(16(19)22)23-14(21)8-12-9-25-17(20-12)13-2-1-7-24-13/h1-7,9,15H,8H2,(H2,19,22)/t15-/m1/s1
InChIKeyVEIWRWXEVDOJLA-OAHLLOKOSA-N
XLogP3.32
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8602963
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46625602
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55378695
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826748
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
(4-chloronaphthalen-1-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8897974
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826877
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27895338
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826649
(2S)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579077

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 41469825) is [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is NC(=O)[C@H](OC(=O)Cc1csc(-c2cccs2)n1)c1ccc(F)cc1.
What is the InChIKey of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is VEIWRWXEVDOJLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13FN2O3S2/c18-11-5-3-10(4-6-11)15(16(19)22)23-14(21)8-12-9-25-17(20-12)13-2-1-7-24-13/h1-7,9,15H,8H2,(H2,19,22)/t15-/m1/s1.
What are the key properties of [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 376.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 41469825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).