1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone

C11H8FNOS — CID 112642213

IUPAC1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cccc(F)c1
InChIInChI=1S/C11H8FNOS/c12-9-3-1-2-8(4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2
InChIKeyIKAJNKFHRALCEM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone

1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 112642213) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID112642213
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)c1cccc(F)c1
InChIInChI=1S/C11H8FNOS/c12-9-3-1-2-8(4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2
InChIKeyIKAJNKFHRALCEM-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(1,3-thiazol-5-yl)ethanone
CID 115796114
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642317
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
CID 116575762
1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642259
1-phenyl-3-(1,3-thiazol-5-yl)propan-1-one
CID 112641235
1-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone (CID 112642213) is 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is IKAJNKFHRALCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c12-9-3-1-2-8(4-9)11(14)5-10-6-13-7-15-10/h1-4,6-7H,5H2.
What are the key properties of 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 221.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 112642213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).