7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one

C21H11NO5S — CID 135510427

IUPAC7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(-c2cc3ccc(O)cc3oc2=O)n1
InChIInChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H
InChIKeyNKEQLZRKLSZCPR-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.40
Rot. Bonds2

About 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one

7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one (PubChem CID 135510427) has the molecular formula C21H11NO5S and a molecular weight of 389.39 g/mol. Its IUPAC name is 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
PubChem CID135510427
Molecular FormulaC21H11NO5S
Molecular Weight389.39 g/mol
Exact Mass389.04
IUPAC Name7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(-c2cc3ccc(O)cc3oc2=O)n1
InChIInChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H
InChIKeyNKEQLZRKLSZCPR-UHFFFAOYSA-N
XLogP4.40
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
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 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The IUPAC name of 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one (CID 135510427) is 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The canonical SMILES for 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(-c2cc3ccc(O)cc3oc2=O)n1.
What is the InChIKey of 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
The InChIKey is NKEQLZRKLSZCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H.
What are the key properties of 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one?
7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one has a molecular weight of 389.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]chromen-2-one is sourced from PubChem (CID 135510427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).