1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone

C8H6FN3OS — CID 168853627

IUPAC1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C8H6FN3OS/c1-5(13)7-4-14-8(11-7)12-3-6(9)2-10-12/h2-4H,1H3
InChIKeyFYIRPZXLJWLTMU-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.67
Rot. Bonds2

About 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 168853627) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID168853627
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC Name1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(-n2cc(F)cn2)n1
InChIInChI=1S/C8H6FN3OS/c1-5(13)7-4-14-8(11-7)12-3-6(9)2-10-12/h2-4H,1H3
InChIKeyFYIRPZXLJWLTMU-UHFFFAOYSA-N
XLogP1.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone (CID 168853627) is 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(-n2cc(F)cn2)n1.
What is the InChIKey of 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is FYIRPZXLJWLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c1-5(13)7-4-14-8(11-7)12-3-6(9)2-10-12/h2-4H,1H3.
What are the key properties of 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 211.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoropyrazol-1-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 168853627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).