1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone

C11H9FN2OS — CID 1214805

IUPAC1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone
SMILESCC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN2OS/c1-6(15)11-9(13)10(14-16-11)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3
InChIKeyQVPPWEJNGJDQME-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.73
Rot. Bonds2

About 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone

1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone (PubChem CID 1214805) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone
PubChem CID1214805
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone
SMILESCC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN2OS/c1-6(15)11-9(13)10(14-16-11)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3
InChIKeyQVPPWEJNGJDQME-UHFFFAOYSA-N
XLogP2.73
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone (CID 1214805) is 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone is CC(=O)c1snc(-c2ccc(F)cc2)c1N.
What is the InChIKey of 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone?
The InChIKey is QVPPWEJNGJDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-6(15)11-9(13)10(14-16-11)7-2-4-8(12)5-3-7/h2-5H,13H2,1H3.
What are the key properties of 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone?
1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone has a molecular weight of 236.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(4-fluorophenyl)-1,2-thiazol-5-yl]ethanone is sourced from PubChem (CID 1214805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).