3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one

C10H8FNOS — CID 115646822

IUPAC3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1cccc(F)c1
InChIInChI=1S/C10H8FNOS/c11-9-3-1-2-8(6-9)7-12-4-5-14-10(12)13/h1-6H,7H2
InChIKeyQPBFEGFRVOINGW-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.10
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one

3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one (PubChem CID 115646822) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
PubChem CID115646822
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1Cc1cccc(F)c1
InChIInChI=1S/C10H8FNOS/c11-9-3-1-2-8(6-9)7-12-4-5-14-10(12)13/h1-6H,7H2
InChIKeyQPBFEGFRVOINGW-UHFFFAOYSA-N
XLogP2.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-4-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 64769407
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
3-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-1,3-thiazol-2-one
CID 79706893
3-[(3-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18195406
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
3-[[3-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 79709807
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286783
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one (CID 115646822) is 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one is O=c1sccn1Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one?
The InChIKey is QPBFEGFRVOINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c11-9-3-1-2-8(6-9)7-12-4-5-14-10(12)13/h1-6H,7H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one?
3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one has a molecular weight of 209.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115646822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).