1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one

C8H10FNOS — CID 130328564

IUPAC1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1csc(F)n1
InChIInChI=1S/C8H10FNOS/c1-8(2,3)6(11)5-4-12-7(9)10-5/h4H,1-3H3
InChIKeyGRXDFUCFDQBGJV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.51
Rot. Bonds1

About 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one

1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 130328564) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
PubChem CID130328564
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1csc(F)n1
InChIInChI=1S/C8H10FNOS/c1-8(2,3)6(11)5-4-12-7(9)10-5/h4H,1-3H3
InChIKeyGRXDFUCFDQBGJV-UHFFFAOYSA-N
XLogP2.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one (CID 130328564) is 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1csc(F)n1.
What is the InChIKey of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GRXDFUCFDQBGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-8(2,3)6(11)5-4-12-7(9)10-5/h4H,1-3H3.
What are the key properties of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one?
1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 130328564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).