2-(5-fluoro-1,3-thiazol-2-yl)propanamide

C6H7FN2OS — CID 67486570

IUPAC2-(5-fluoro-1,3-thiazol-2-yl)propanamide
SMILESCC(C(N)=O)c1ncc(F)s1
InChIInChI=1S/C6H7FN2OS/c1-3(5(8)10)6-9-2-4(7)11-6/h2-3H,1H3,(H2,8,10)
InChIKeyHPLOQPKONYPPEJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.87
Rot. Bonds2

About 2-(5-fluoro-1,3-thiazol-2-yl)propanamide

2-(5-fluoro-1,3-thiazol-2-yl)propanamide (PubChem CID 67486570) has the molecular formula C6H7FN2OS and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-fluoro-1,3-thiazol-2-yl)propanamide
PubChem CID67486570
Molecular FormulaC6H7FN2OS
Molecular Weight174.20 g/mol
Exact Mass174.03
IUPAC Name2-(5-fluoro-1,3-thiazol-2-yl)propanamide
SMILESCC(C(N)=O)c1ncc(F)s1
InChIInChI=1S/C6H7FN2OS/c1-3(5(8)10)6-9-2-4(7)11-6/h2-3H,1H3,(H2,8,10)
InChIKeyHPLOQPKONYPPEJ-UHFFFAOYSA-N
XLogP0.87
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(5-fluoro-1,3-thiazol-2-yl)propanamide (CID 67486570) is 2-(5-fluoro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(5-fluoro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(5-fluoro-1,3-thiazol-2-yl)propanamide is CC(C(N)=O)c1ncc(F)s1.
What is the InChIKey of 2-(5-fluoro-1,3-thiazol-2-yl)propanamide?
The InChIKey is HPLOQPKONYPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2OS/c1-3(5(8)10)6-9-2-4(7)11-6/h2-3H,1H3,(H2,8,10).
What are the key properties of 2-(5-fluoro-1,3-thiazol-2-yl)propanamide?
2-(5-fluoro-1,3-thiazol-2-yl)propanamide has a molecular weight of 174.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 67486570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).