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

C12H12FNOS — CID 105499043

IUPAC4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,15)
InChIKeyHUXYDSTVYDAZDB-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.37
Rot. Bonds2

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

4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one (PubChem CID 105499043) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
PubChem CID105499043
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
SMILESCC(C)c1sc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,15)
InChIKeyHUXYDSTVYDAZDB-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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Related Compounds

4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
CID 112694812
4-(3-fluorophenyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105475415
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
CID 105459937
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
3-(3-fluorophenyl)thiophene
CID 7010737
1-[5-(3-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154255
2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
CID 43445116
6-(3-fluorophenyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515384
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287800

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one (CID 105499043) is 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one is CC(C)c1sc(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
The InChIKey is HUXYDSTVYDAZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7(2)11-10(14-12(15)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one?
4-(3-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-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 105499043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).