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

C15H16FN3O2S — CID 124878028

IUPACN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide
SMILESNC(=O)[C@H](NC(=O)CCCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c16-11-6-4-10(5-7-11)14(15(17)21)19-12(20)2-1-3-13-18-8-9-22-13/h4-9,14H,1-3H2,(H2,17,21)(H,19,20)/t14-/m1/s1
InChIKeyAXMOADIKINNCNE-CQSZACIVSA-N
MW321.38 g/mol
LogP1.95
Rot. Bonds7

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

N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide (PubChem CID 124878028) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide
PubChem CID124878028
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide
SMILESNC(=O)[C@H](NC(=O)CCCc1nccs1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O2S/c16-11-6-4-10(5-7-11)14(15(17)21)19-12(20)2-1-3-13-18-8-9-22-13/h4-9,14H,1-3H2,(H2,17,21)(H,19,20)/t14-/m1/s1
InChIKeyAXMOADIKINNCNE-CQSZACIVSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 75523855
N-(1-phenylethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 110388295
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-3-[(3S)-oxolan-3-yl]propanamide
CID 99631822
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(2,5-difluorophenyl)propanamide
CID 94463666
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide
CID 75508902
N-[(1R)-2-amino-1-(4-chlorophenyl)-2-oxoethyl]hexanamide
CID 95775930
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
trans-(1R,2R)-2-[4-(1,3-thiazol-2-yl)butanoylamino]cyclohexane-1-carboxamide
CID 100756279
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide (CID 124878028) is N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide is NC(=O)[C@H](NC(=O)CCCc1nccs1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide?
The InChIKey is AXMOADIKINNCNE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-6-4-10(5-7-11)14(15(17)21)19-12(20)2-1-3-13-18-8-9-22-13/h4-9,14H,1-3H2,(H2,17,21)(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide?
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide has a molecular weight of 321.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 124878028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).