1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone

C9H12FNOS — CID 84776285

IUPAC1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(C(C)(C)F)s1
InChIInChI=1S/C9H12FNOS/c1-5-7(9(3,4)10)13-8(11-5)6(2)12/h1-4H3
InChIKeyNOQBJJKJPFYKHZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.86
Rot. Bonds2

About 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone

1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 84776285) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID84776285
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(C)c(C(C)(C)F)s1
InChIInChI=1S/C9H12FNOS/c1-5-7(9(3,4)10)13-8(11-5)6(2)12/h1-4H3
InChIKeyNOQBJJKJPFYKHZ-UHFFFAOYSA-N
XLogP2.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone (CID 84776285) is 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(C)c(C(C)(C)F)s1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is NOQBJJKJPFYKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-5-7(9(3,4)10)13-8(11-5)6(2)12/h1-4H3.
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone?
1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 84776285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).