(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone

C11H8FNO2S — CID 78923588

IUPAC(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cscn2)cc1F
InChIInChI=1S/C11H8FNO2S/c1-15-10-3-2-7(4-8(10)12)11(14)9-5-16-6-13-9/h2-6H,1H3
InChIKeyOCEQQBAAWDGUQJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.52
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone

(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone (PubChem CID 78923588) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
PubChem CID78923588
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2cscn2)cc1F
InChIInChI=1S/C11H8FNO2S/c1-15-10-3-2-7(4-8(10)12)11(14)9-5-16-6-13-9/h2-6H,1H3
InChIKeyOCEQQBAAWDGUQJ-UHFFFAOYSA-N
XLogP2.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone
CID 54578441
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
3-fluoro-4-methoxybenzoate
CID 4251674
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone (CID 78923588) is (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone is COc1ccc(C(=O)c2cscn2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is OCEQQBAAWDGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-15-10-3-2-7(4-8(10)12)11(14)9-5-16-6-13-9/h2-6H,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 237.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 78923588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).