4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one

C12H12FNOS — CID 105499045

IUPAC4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)[nH]c1-c1ccccc1F
InChIInChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15)
InChIKeyANZYYRZNBLTOCF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.37
Rot. Bonds2

About 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one

4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one (PubChem CID 105499045) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
PubChem CID105499045
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)[nH]c1-c1ccccc1F
InChIInChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15)
InChIKeyANZYYRZNBLTOCF-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one (CID 105499045) is 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one is CC(C)c1sc(=O)[nH]c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The InChIKey is ANZYYRZNBLTOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 105499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).