4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one

C23H20N2O2S — CID 58067477

IUPAC4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one
SMILESCC(CC(=O)Cc1cccc(-c2nc3ccncc3s2)c1)Oc1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-16(27-20-8-3-2-4-9-20)12-19(26)14-17-6-5-7-18(13-17)23-25-21-10-11-24-15-22(21)28-23/h2-11,13,15-16H,12,14H2,1H3
InChIKeyDLPXKTWWEYCOSN-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.33
Rot. Bonds7

About 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one

4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one (PubChem CID 58067477) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one.

Molecular Properties

Compound Name4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one
PubChem CID58067477
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one
SMILESCC(CC(=O)Cc1cccc(-c2nc3ccncc3s2)c1)Oc1ccccc1
InChIInChI=1S/C23H20N2O2S/c1-16(27-20-8-3-2-4-9-20)12-19(26)14-17-6-5-7-18(13-17)23-25-21-10-11-24-15-22(21)28-23/h2-11,13,15-16H,12,14H2,1H3
InChIKeyDLPXKTWWEYCOSN-UHFFFAOYSA-N
XLogP5.33
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one?
The IUPAC name of 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one (CID 58067477) is 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one.
What is the SMILES notation for 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one?
The canonical SMILES for 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one is CC(CC(=O)Cc1cccc(-c2nc3ccncc3s2)c1)Oc1ccccc1.
What is the InChIKey of 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one?
The InChIKey is DLPXKTWWEYCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16(27-20-8-3-2-4-9-20)12-19(26)14-17-6-5-7-18(13-17)23-25-21-10-11-24-15-22(21)28-23/h2-11,13,15-16H,12,14H2,1H3.
What are the key properties of 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one?
4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one has a molecular weight of 388.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]pentan-2-one is sourced from PubChem (CID 58067477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).