N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide

C7H7FN2O2S — CID 167227362

IUPACN-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CC=O)s1
InChIInChI=1S/C7H7FN2O2S/c1-4(12)9-7-10-6(8)5(13-7)2-3-11/h3H,2H2,1H3,(H,9,10,12)
InChIKeyOYOUQCSIDXUIIM-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.98
Rot. Bonds3

About N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide

N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167227362) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID167227362
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC NameN-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CC=O)s1
InChIInChI=1S/C7H7FN2O2S/c1-4(12)9-7-10-6(8)5(13-7)2-3-11/h3H,2H2,1H3,(H,9,10,12)
InChIKeyOYOUQCSIDXUIIM-UHFFFAOYSA-N
XLogP0.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide (CID 167227362) is N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CC=O)s1.
What is the InChIKey of N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OYOUQCSIDXUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c1-4(12)9-7-10-6(8)5(13-7)2-3-11/h3H,2H2,1H3,(H,9,10,12).
What are the key properties of N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 202.21 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167227362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).