(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone

C26H24ClN3O2S — CID 57448308

IUPAC(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Oc3nc4cnccc4s3)cc2)CC1
InChIInChI=1S/C26H24ClN3O2S/c27-21-5-3-19(4-6-21)25(31)20-11-15-30(16-12-20)14-10-18-1-7-22(8-2-18)32-26-29-23-17-28-13-9-24(23)33-26/h1-9,13,17,20H,10-12,14-16H2
InChIKeyOCLXRQINNCOWIQ-UHFFFAOYSA-N
MW478.02 g/mol
LogP6.27
Rot. Bonds7

About (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone (PubChem CID 57448308) has the molecular formula C26H24ClN3O2S and a molecular weight of 478.02 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone
PubChem CID57448308
Molecular FormulaC26H24ClN3O2S
Molecular Weight478.02 g/mol
Exact Mass477.13
IUPAC Name(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Oc3nc4cnccc4s3)cc2)CC1
InChIInChI=1S/C26H24ClN3O2S/c27-21-5-3-19(4-6-21)25(31)20-11-15-30(16-12-20)14-10-18-1-7-22(8-2-18)32-26-29-23-17-28-13-9-24(23)33-26/h1-9,13,17,20H,10-12,14-16H2
InChIKeyOCLXRQINNCOWIQ-UHFFFAOYSA-N
XLogP6.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone (CID 57448308) is (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Oc3nc4cnccc4s3)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone?
The InChIKey is OCLXRQINNCOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2S/c27-21-5-3-19(4-6-21)25(31)20-11-15-30(16-12-20)14-10-18-1-7-22(8-2-18)32-26-29-23-17-28-13-9-24(23)33-26/h1-9,13,17,20H,10-12,14-16H2.
What are the key properties of (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone has a molecular weight of 478.02 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[2-[4-([1,3]thiazolo[4,5-c]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 57448308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).