4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine

C20H20N2O2S — CID 2310161

IUPAC4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3
InChIKeyQTAYPXBMMZDRPV-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.32
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine

4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine (PubChem CID 2310161) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine
PubChem CID2310161
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3
InChIKeyQTAYPXBMMZDRPV-UHFFFAOYSA-N
XLogP4.32
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine (CID 2310161) is 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine is COc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is QTAYPXBMMZDRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22/h2-10H,11-14H2,1H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine?
4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 352.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 2310161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).