3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one

C7H9FN2OS — CID 174520086

IUPAC3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one
SMILESCC(=O)C(C)(F)c1csc(N)n1
InChIInChI=1S/C7H9FN2OS/c1-4(11)7(2,8)5-3-12-6(9)10-5/h3H,1-2H3,(H2,9,10)
InChIKeyTZPYFQXIGMBESY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.50
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one

3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one (PubChem CID 174520086) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one
PubChem CID174520086
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one
SMILESCC(=O)C(C)(F)c1csc(N)n1
InChIInChI=1S/C7H9FN2OS/c1-4(11)7(2,8)5-3-12-6(9)10-5/h3H,1-2H3,(H2,9,10)
InChIKeyTZPYFQXIGMBESY-UHFFFAOYSA-N
XLogP1.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one (CID 174520086) is 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one is CC(=O)C(C)(F)c1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one?
The InChIKey is TZPYFQXIGMBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-4(11)7(2,8)5-3-12-6(9)10-5/h3H,1-2H3,(H2,9,10).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one?
3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one has a molecular weight of 188.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-3-fluorobutan-2-one is sourced from PubChem (CID 174520086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).