2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one

C22H18N2O3S — CID 11956322

IUPAC2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4nccs4)c3)cccc12
InChIInChI=1S/C22H18N2O3S/c25-19-14-20(24-8-10-26-11-9-24)27-21-17(5-2-6-18(19)21)15-3-1-4-16(13-15)22-23-7-12-28-22/h1-7,12-14H,8-11H2
InChIKeyGXLBLWPNGBQINY-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.42
Rot. Bonds3

About 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one

2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one (PubChem CID 11956322) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one
PubChem CID11956322
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4nccs4)c3)cccc12
InChIInChI=1S/C22H18N2O3S/c25-19-14-20(24-8-10-26-11-9-24)27-21-17(5-2-6-18(19)21)15-3-1-4-16(13-15)22-23-7-12-28-22/h1-7,12-14H,8-11H2
InChIKeyGXLBLWPNGBQINY-UHFFFAOYSA-N
XLogP4.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one?
The IUPAC name of 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one (CID 11956322) is 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4nccs4)c3)cccc12.
What is the InChIKey of 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one?
The InChIKey is GXLBLWPNGBQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-19-14-20(24-8-10-26-11-9-24)27-21-17(5-2-6-18(19)21)15-3-1-4-16(13-15)22-23-7-12-28-22/h1-7,12-14H,8-11H2.
What are the key properties of 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one?
2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one has a molecular weight of 390.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-8-[3-(1,3-thiazol-2-yl)phenyl]chromen-4-one is sourced from PubChem (CID 11956322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).