5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one

C5H6FNOS — CID 84763004

IUPAC5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1CF
InChIInChI=1S/C5H6FNOS/c1-3-4(2-6)9-5(8)7-3/h2H2,1H3,(H,7,8)
InChIKeyXGUYKPWVMGCADG-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.21
Rot. Bonds1

About 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one

5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 84763004) has the molecular formula C5H6FNOS and a molecular weight of 147.17 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
PubChem CID84763004
Molecular FormulaC5H6FNOS
Molecular Weight147.17 g/mol
Exact Mass147.02
IUPAC Name5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1CF
InChIInChI=1S/C5H6FNOS/c1-3-4(2-6)9-5(8)7-3/h2H2,1H3,(H,7,8)
InChIKeyXGUYKPWVMGCADG-UHFFFAOYSA-N
XLogP1.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one (CID 84763004) is 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1CF.
What is the InChIKey of 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is XGUYKPWVMGCADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNOS/c1-3-4(2-6)9-5(8)7-3/h2H2,1H3,(H,7,8).
What are the key properties of 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one?
5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 147.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 84763004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).