4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine

C23H27N3O2S — CID 118709523

IUPAC4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN4CCOCC4)cc3)cs2)ccn1
InChIInChI=1S/C23H27N3O2S/c1-2-3-20-16-19(8-9-24-20)23-25-22(17-29-23)18-4-6-21(7-5-18)28-15-12-26-10-13-27-14-11-26/h4-9,16-17H,2-3,10-15H2,1H3
InChIKeyBPHYEEUQSSTZEW-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.54
Rot. Bonds8

About 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine

4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine (PubChem CID 118709523) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine
PubChem CID118709523
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN4CCOCC4)cc3)cs2)ccn1
InChIInChI=1S/C23H27N3O2S/c1-2-3-20-16-19(8-9-24-20)23-25-22(17-29-23)18-4-6-21(7-5-18)28-15-12-26-10-13-27-14-11-26/h4-9,16-17H,2-3,10-15H2,1H3
InChIKeyBPHYEEUQSSTZEW-UHFFFAOYSA-N
XLogP4.54
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine (CID 118709523) is 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine is CCCc1cc(-c2nc(-c3ccc(OCCN4CCOCC4)cc3)cs2)ccn1.
What is the InChIKey of 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine?
The InChIKey is BPHYEEUQSSTZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-2-3-20-16-19(8-9-24-20)23-25-22(17-29-23)18-4-6-21(7-5-18)28-15-12-26-10-13-27-14-11-26/h4-9,16-17H,2-3,10-15H2,1H3.
What are the key properties of 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine has a molecular weight of 409.56 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 118709523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).