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

C9H10FNOS — CID 126498064

IUPAC1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2(F)CCC2)n1
InChIInChI=1S/C9H10FNOS/c1-6(12)7-5-13-8(11-7)9(10)3-2-4-9/h5H,2-4H2,1H3
InChIKeyYNIKTSCQHPLOCD-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.69
Rot. Bonds2

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

1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 126498064) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
PubChem CID126498064
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2(F)CCC2)n1
InChIInChI=1S/C9H10FNOS/c1-6(12)7-5-13-8(11-7)9(10)3-2-4-9/h5H,2-4H2,1H3
InChIKeyYNIKTSCQHPLOCD-UHFFFAOYSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone (CID 126498064) is 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2(F)CCC2)n1.
What is the InChIKey of 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is YNIKTSCQHPLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-6(12)7-5-13-8(11-7)9(10)3-2-4-9/h5H,2-4H2,1H3.
What are the key properties of 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone?
1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 199.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluorocyclobutyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).