8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one

C22H13NO5S — CID 2235857

IUPAC8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc12
InChIInChI=1S/C22H13NO5S/c1-26-18-8-4-6-13-10-15(22(25)28-19(13)18)20-23-16(11-29-20)14-9-12-5-2-3-7-17(12)27-21(14)24/h2-11H,1H3
InChIKeyZSROTBRZBAEXIN-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.70
Rot. Bonds3

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

8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one (PubChem CID 2235857) has the molecular formula C22H13NO5S and a molecular weight of 403.42 g/mol. Its IUPAC name is 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
PubChem CID2235857
Molecular FormulaC22H13NO5S
Molecular Weight403.42 g/mol
Exact Mass403.05
IUPAC Name8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc12
InChIInChI=1S/C22H13NO5S/c1-26-18-8-4-6-13-10-15(22(25)28-19(13)18)20-23-16(11-29-20)14-9-12-5-2-3-7-17(12)27-21(14)24/h2-11H,1H3
InChIKeyZSROTBRZBAEXIN-UHFFFAOYSA-N
XLogP4.70
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one (CID 2235857) is 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one is COc1cccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The InChIKey is ZSROTBRZBAEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13NO5S/c1-26-18-8-4-6-13-10-15(22(25)28-19(13)18)20-23-16(11-29-20)14-9-12-5-2-3-7-17(12)27-21(14)24/h2-11H,1H3.
What are the key properties of 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one has a molecular weight of 403.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one is sourced from PubChem (CID 2235857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).