1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

C13H13FN2OS — CID 82535538

IUPAC1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(NCCc2nccs2)c1
InChIInChI=1S/C13H13FN2OS/c1-9(17)10-2-3-11(14)12(8-10)15-5-4-13-16-6-7-18-13/h2-3,6-8,15H,4-5H2,1H3
InChIKeyPTDMMVKKIOKORT-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.14
Rot. Bonds5

About 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone

1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (PubChem CID 82535538) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
PubChem CID82535538
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(NCCc2nccs2)c1
InChIInChI=1S/C13H13FN2OS/c1-9(17)10-2-3-11(14)12(8-10)15-5-4-13-16-6-7-18-13/h2-3,6-8,15H,4-5H2,1H3
InChIKeyPTDMMVKKIOKORT-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone (CID 82535538) is 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is CC(=O)c1ccc(F)c(NCCc2nccs2)c1.
What is the InChIKey of 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
The InChIKey is PTDMMVKKIOKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9(17)10-2-3-11(14)12(8-10)15-5-4-13-16-6-7-18-13/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone?
1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylamino]phenyl]ethanone is sourced from PubChem (CID 82535538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).