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

C10H8FNOS — CID 112694812

IUPAC4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
SMILESCc1sc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyNEAVPIVBNHWAPJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds1

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

4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one (PubChem CID 112694812) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
PubChem CID112694812
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
SMILESCc1sc(=O)[nH]c1-c1cccc(F)c1
InChIInChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13)
InChIKeyNEAVPIVBNHWAPJ-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-5-propan-2-yl-3H-1,3-thiazol-2-one
CID 105499043
4-(3-fluorophenyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105475415
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
5-ethyl-4-(3-fluorophenyl)-3H-1,3-oxazol-2-one
CID 105459937
3-(3-fluorophenyl)thiophene
CID 7010737
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
1-fluoro-3-(3-fluorophenyl)-5-methylbenzene
CID 46313952
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
CID 114873444
6-(3-fluorophenyl)-1,3-oxazine-2,4-dione
CID 13370936
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one (CID 112694812) is 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one is Cc1sc(=O)[nH]c1-c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one?
The InChIKey is NEAVPIVBNHWAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-3-2-4-8(11)5-7/h2-5H,1H3,(H,12,13).
What are the key properties of 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one?
4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one has a molecular weight of 209.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 112694812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).