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

C17H13FN2OS — CID 2215254

IUPAC1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H13FN2OS/c1-11(21)12-4-8-15(9-5-12)19-17-20-16(10-22-17)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,19,20)
InChIKeyHPGPOCUUXZVIQE-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.90
Rot. Bonds4

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

1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (PubChem CID 2215254) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
PubChem CID2215254
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H13FN2OS/c1-11(21)12-4-8-15(9-5-12)19-17-20-16(10-22-17)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,19,20)
InChIKeyHPGPOCUUXZVIQE-UHFFFAOYSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone (CID 2215254) is 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
The InChIKey is HPGPOCUUXZVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11(21)12-4-8-15(9-5-12)19-17-20-16(10-22-17)13-2-6-14(18)7-3-13/h2-10H,1H3,(H,19,20).
What are the key properties of 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone?
1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 2215254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).