2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide

C13H14FN3OS — CID 62798369

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(N)n1)c1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(10-4-2-3-5-11(10)14)16-12(18)6-9-7-19-13(15)17-9/h2-5,7-8H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyABYXVPUPNWTRAF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.28
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide (PubChem CID 62798369) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
PubChem CID62798369
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1csc(N)n1)c1ccccc1F
InChIInChI=1S/C13H14FN3OS/c1-8(10-4-2-3-5-11(10)14)16-12(18)6-9-7-19-13(15)17-9/h2-5,7-8H,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyABYXVPUPNWTRAF-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 62798043
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63183740
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 62796221
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
2-(2-amino-1,3-thiazol-4-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049027

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide (CID 62798369) is 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1csc(N)n1)c1ccccc1F.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is ABYXVPUPNWTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8(10-4-2-3-5-11(10)14)16-12(18)6-9-7-19-13(15)17-9/h2-5,7-8H,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 62798369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).