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

C10H14FNOS — CID 138579041

IUPAC1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
SMILESCCCC(C)(C)C(=O)c1csc(F)n1
InChIInChI=1S/C10H14FNOS/c1-4-5-10(2,3)8(13)7-6-14-9(11)12-7/h6H,4-5H2,1-3H3
InChIKeyQTZZYNOZNWSKGP-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.29
Rot. Bonds4

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

1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one (PubChem CID 138579041) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
PubChem CID138579041
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one
SMILESCCCC(C)(C)C(=O)c1csc(F)n1
InChIInChI=1S/C10H14FNOS/c1-4-5-10(2,3)8(13)7-6-14-9(11)12-7/h6H,4-5H2,1-3H3
InChIKeyQTZZYNOZNWSKGP-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.29
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-dimethylpentan-1-one?
The IUPAC name of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one (CID 138579041) is 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one.
What is the SMILES notation for 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one?
The canonical SMILES for 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one is CCCC(C)(C)C(=O)c1csc(F)n1.
What is the InChIKey of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one?
The InChIKey is QTZZYNOZNWSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-4-5-10(2,3)8(13)7-6-14-9(11)12-7/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one?
1-(2-fluoro-1,3-thiazol-4-yl)-2,2-dimethylpentan-1-one has a molecular weight of 215.29 g/mol, XLogP of 3.29, 4 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-dimethylpentan-1-one is sourced from PubChem (CID 138579041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).