4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol

C25H24ClN3O3S — CID 57448317

IUPAC4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C25H24ClN3O3S/c26-19-5-3-18(4-6-19)25(30)11-14-29(15-12-25)16-17-31-20-7-9-21(10-8-20)32-24-28-22-2-1-13-27-23(22)33-24/h1-10,13,30H,11-12,14-17H2
InChIKeyGSAGZTKMBDHQMM-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.50
Rot. Bonds7

About 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol (PubChem CID 57448317) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol
PubChem CID57448317
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC Name4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C25H24ClN3O3S/c26-19-5-3-18(4-6-19)25(30)11-14-29(15-12-25)16-17-31-20-7-9-21(10-8-20)32-24-28-22-2-1-13-27-23(22)33-24/h1-10,13,30H,11-12,14-17H2
InChIKeyGSAGZTKMBDHQMM-UHFFFAOYSA-N
XLogP5.50
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol (CID 57448317) is 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCOc2ccc(Oc3nc4cccnc4s3)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol?
The InChIKey is GSAGZTKMBDHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c26-19-5-3-18(4-6-19)25(30)11-14-29(15-12-25)16-17-31-20-7-9-21(10-8-20)32-24-28-22-2-1-13-27-23(22)33-24/h1-10,13,30H,11-12,14-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol has a molecular weight of 482.01 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenoxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 57448317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).