5-fluoro-4-methyl-3H-1,3-thiazol-2-one

C4H4FNOS — CID 144510982

IUPAC5-fluoro-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1F
InChIInChI=1S/C4H4FNOS/c1-2-3(5)8-4(7)6-2/h1H3,(H,6,7)
InChIKeyBKRBSLMUWGEQHW-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.88
Rot. Bonds

About 5-fluoro-4-methyl-3H-1,3-thiazol-2-one

5-fluoro-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 144510982) has the molecular formula C4H4FNOS and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-fluoro-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-3H-1,3-thiazol-2-one
PubChem CID144510982
Molecular FormulaC4H4FNOS
Molecular Weight133.15 g/mol
Exact Mass133.00
IUPAC Name5-fluoro-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1F
InChIInChI=1S/C4H4FNOS/c1-2-3(5)8-4(7)6-2/h1H3,(H,6,7)
InChIKeyBKRBSLMUWGEQHW-UHFFFAOYSA-N
XLogP0.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-fluoro-4-methyl-3H-1,3-thiazol-2-one (CID 144510982) is 5-fluoro-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-fluoro-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-fluoro-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1F.
What is the InChIKey of 5-fluoro-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is BKRBSLMUWGEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNOS/c1-2-3(5)8-4(7)6-2/h1H3,(H,6,7).
What are the key properties of 5-fluoro-4-methyl-3H-1,3-thiazol-2-one?
5-fluoro-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 133.15 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 144510982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).