3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one

C16H15N3O2S — CID 781403

IUPAC3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCCCC2)nc1O
InChIInChI=1S/C16H15N3O2S/c20-14-12(10-6-2-3-7-11(10)17-14)13-15(21)18-16(22-13)19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-9H2
InChIKeyMSWWJBKKFJEZLX-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.20
Rot. Bonds2

About 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one

3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one (PubChem CID 781403) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one
PubChem CID781403
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCCCC2)nc1O
InChIInChI=1S/C16H15N3O2S/c20-14-12(10-6-2-3-7-11(10)17-14)13-15(21)18-16(22-13)19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-9H2
InChIKeyMSWWJBKKFJEZLX-UHFFFAOYSA-N
XLogP1.20
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one?
The IUPAC name of 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one (CID 781403) is 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one.
What is the SMILES notation for 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one?
The canonical SMILES for 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one is O=C1N=c2ccccc2=C1c1sc(N2CCCCC2)nc1O.
What is the InChIKey of 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one?
The InChIKey is MSWWJBKKFJEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14-12(10-6-2-3-7-11(10)17-14)13-15(21)18-16(22-13)19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-9H2.
What are the key properties of 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one?
3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one has a molecular weight of 313.38 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-piperidin-1-yl-1,3-thiazol-5-yl)indol-2-one is sourced from PubChem (CID 781403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).