1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one

C7H8FNOS — CID 160791408

IUPAC1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(CF)cs1
InChIInChI=1S/C7H8FNOS/c1-5(10)2-7-9-6(3-8)4-11-7/h4H,2-3H2,1H3
InChIKeySBWHRTKNRBLWNH-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one

1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one (PubChem CID 160791408) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one
PubChem CID160791408
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(CF)cs1
InChIInChI=1S/C7H8FNOS/c1-5(10)2-7-9-6(3-8)4-11-7/h4H,2-3H2,1H3
InChIKeySBWHRTKNRBLWNH-UHFFFAOYSA-N
XLogP1.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.74
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
4-Methyl-2-propylthiazole
CID 521382
2-(4-Methyl-1,3-thiazol-2-yl)acetamide
CID 712445
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
2,2,2-Trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one
CID 22106690
1-(4-Methyl-1,3-thiazol-2-yl)propan-2-one
CID 17930988
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]ethan-1-one
CID 53402794
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
2-[4-(Fluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 67484175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one (CID 160791408) is 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(CF)cs1.
What is the InChIKey of 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is SBWHRTKNRBLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-5(10)2-7-9-6(3-8)4-11-7/h4H,2-3H2,1H3.
What are the key properties of 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one?
1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(fluoromethyl)-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 160791408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).