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

C8H10FNOS — CID 84770359

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(C)(C)F)n1
InChIInChI=1S/C8H10FNOS/c1-5(11)6-4-12-7(10-6)8(2,3)9/h4H,1-3H3
InChIKeyQCGMJCWAXDVGQN-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.55
Rot. Bonds2

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

1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 84770359) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID84770359
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C(C)(C)F)n1
InChIInChI=1S/C8H10FNOS/c1-5(11)6-4-12-7(10-6)8(2,3)9/h4H,1-3H3
InChIKeyQCGMJCWAXDVGQN-UHFFFAOYSA-N
XLogP2.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyl-4-methylthiazole
CID 5324797
1-(4-Methyl-1,3-thiazol-2-yl)propan-1-one
CID 20560352
2-Acetyl-4-ethylthiazole
CID 45086015
1-(Thiazol-4-yl)ethanone
CID 3348031
1-(2-Methyl-1,3-thiazol-4-yl)ethan-1-one
CID 1475027
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
2-Tert-butyl-1,3-thiazole-4-carbaldehyde
CID 16494973
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CID 53402794
1-(2-Chloro-1,3-thiazol-4-yl)ethan-1-one
CID 53444051
1-(2-Bromo-1,3-thiazol-4-yl)ethan-1-one
CID 58924902
1-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethan-1-one
CID 64544412
3-(Dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 5704059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 84770359) is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C(C)(C)F)n1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is QCGMJCWAXDVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-5(11)6-4-12-7(10-6)8(2,3)9/h4H,1-3H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 84770359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).