2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide

C6H5FN2O2S — CID 156905309

IUPAC2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(F)c(C=O)s1
InChIInChI=1S/C6H5FN2O2S/c7-6-3(2-10)12-5(9-6)1-4(8)11/h2H,1H2,(H2,8,11)
InChIKeyTXOSONAPQKPAJC-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.12
Rot. Bonds3

About 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide

2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 156905309) has the molecular formula C6H5FN2O2S and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID156905309
Molecular FormulaC6H5FN2O2S
Molecular Weight188.18 g/mol
Exact Mass188.01
IUPAC Name2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(F)c(C=O)s1
InChIInChI=1S/C6H5FN2O2S/c7-6-3(2-10)12-5(9-6)1-4(8)11/h2H,1H2,(H2,8,11)
InChIKeyTXOSONAPQKPAJC-UHFFFAOYSA-N
XLogP0.12
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.12
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 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide (CID 156905309) is 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide is NC(=O)Cc1nc(F)c(C=O)s1.
What is the InChIKey of 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is TXOSONAPQKPAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2S/c7-6-3(2-10)12-5(9-6)1-4(8)11/h2H,1H2,(H2,8,11).
What are the key properties of 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 188.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156905309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).