5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one

C21H17FN4O2S — CID 4753577

IUPAC5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(N2CCN(c3ccccc3)CC2)nc1O
InChIInChI=1S/C21H17FN4O2S/c22-13-6-7-16-15(12-13)17(19(27)23-16)18-20(28)24-21(29-18)26-10-8-25(9-11-26)14-4-2-1-3-5-14/h1-7,12,28H,8-11H2
InChIKeyMXQNNLDWSFLYDZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.67
Rot. Bonds3

About 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one

5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 4753577) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
PubChem CID4753577
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccc(F)cc2=C1c1sc(N2CCN(c3ccccc3)CC2)nc1O
InChIInChI=1S/C21H17FN4O2S/c22-13-6-7-16-15(12-13)17(19(27)23-16)18-20(28)24-21(29-18)26-10-8-25(9-11-26)14-4-2-1-3-5-14/h1-7,12,28H,8-11H2
InChIKeyMXQNNLDWSFLYDZ-UHFFFAOYSA-N
XLogP1.67
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one (CID 4753577) is 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccc(F)cc2=C1c1sc(N2CCN(c3ccccc3)CC2)nc1O.
What is the InChIKey of 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is MXQNNLDWSFLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c22-13-6-7-16-15(12-13)17(19(27)23-16)18-20(28)24-21(29-18)26-10-8-25(9-11-26)14-4-2-1-3-5-14/h1-7,12,28H,8-11H2.
What are the key properties of 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 408.46 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-hydroxy-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 4753577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).