1,3-thiazole-2-carbonyl fluoride

C4H2FNOS — CID 23261591

IUPAC1,3-thiazole-2-carbonyl fluoride
SMILESO=C(F)c1nccs1
InChIInChI=1S/C4H2FNOS/c5-3(7)4-6-1-2-8-4/h1-2H
InChIKeyXITBVAIYGBEZJV-UHFFFAOYSA-N
MW131.13 g/mol
LogP1.25
Rot. Bonds1

About 1,3-thiazole-2-carbonyl fluoride

1,3-thiazole-2-carbonyl fluoride (PubChem CID 23261591) has the molecular formula C4H2FNOS and a molecular weight of 131.13 g/mol. Its IUPAC name is 1,3-thiazole-2-carbonyl fluoride.

Molecular Properties

Compound Name1,3-thiazole-2-carbonyl fluoride
PubChem CID23261591
Molecular FormulaC4H2FNOS
Molecular Weight131.13 g/mol
Exact Mass130.98
IUPAC Name1,3-thiazole-2-carbonyl fluoride
SMILESO=C(F)c1nccs1
InChIInChI=1S/C4H2FNOS/c5-3(7)4-6-1-2-8-4/h1-2H
InChIKeyXITBVAIYGBEZJV-UHFFFAOYSA-N
XLogP1.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetylthiazole
CID 520108
2-Propionylthiazole
CID 65288
1,3-Thiazole-2-carbaldehyde
CID 2734903
1,3-Thiazole-2-carboxamide
CID 17750911
2-Fluoro-1,3-thiazole
CID 18413350
1,3-Thiazole-2-carboxylic acid
CID 2762733
1,3-Thiazole-2-carbonyl chloride
CID 2795211
2-(Trifluoromethyl)-1,3-thiazole
CID 21281824
Thiazolecarboxylic acid azide
CID 18771936
1-(1,3-Thiazol-2-yl)prop-2-yn-1-one
CID 45121799
Bithiazolyl-4-one
CID 66974641
2-(Fluoromethyl)-1,3-thiazole
CID 19972928

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-carbonyl fluoride?
The IUPAC name of 1,3-thiazole-2-carbonyl fluoride (CID 23261591) is 1,3-thiazole-2-carbonyl fluoride.
What is the SMILES notation for 1,3-thiazole-2-carbonyl fluoride?
The canonical SMILES for 1,3-thiazole-2-carbonyl fluoride is O=C(F)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-carbonyl fluoride?
The InChIKey is XITBVAIYGBEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNOS/c5-3(7)4-6-1-2-8-4/h1-2H.
What are the key properties of 1,3-thiazole-2-carbonyl fluoride?
1,3-thiazole-2-carbonyl fluoride has a molecular weight of 131.13 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-carbonyl fluoride is sourced from PubChem (CID 23261591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).