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

C11H9FN2OS — CID 116575762

IUPAC2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
SMILESNc1nc(CC(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-2-7(4-8)10(15)5-9-6-16-11(13)14-9/h1-4,6H,5H2,(H2,13,14)
InChIKeyUUTAQJVUUGEASR-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds3

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

2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone (PubChem CID 116575762) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
PubChem CID116575762
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone
SMILESNc1nc(CC(=O)c2cccc(F)c2)cs1
InChIInChI=1S/C11H9FN2OS/c12-8-3-1-2-7(4-8)10(15)5-9-6-16-11(13)14-9/h1-4,6H,5H2,(H2,13,14)
InChIKeyUUTAQJVUUGEASR-UHFFFAOYSA-N
XLogP2.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone (CID 116575762) is 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone is Nc1nc(CC(=O)c2cccc(F)c2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone?
The InChIKey is UUTAQJVUUGEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-8-3-1-2-7(4-8)10(15)5-9-6-16-11(13)14-9/h1-4,6H,5H2,(H2,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone?
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone has a molecular weight of 236.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116575762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).