8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

C19H13NO3S — CID 866355

IUPAC8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc12
InChIInChI=1S/C19H13NO3S/c1-22-16-9-5-8-13-10-14(19(21)23-17(13)16)18-20-15(11-24-18)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyMDADCSUUBYFUNO-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.59
Rot. Bonds3

About 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one

8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 866355) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
PubChem CID866355
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc12
InChIInChI=1S/C19H13NO3S/c1-22-16-9-5-8-13-10-14(19(21)23-17(13)16)18-20-15(11-24-18)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyMDADCSUUBYFUNO-UHFFFAOYSA-N
XLogP4.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one (CID 866355) is 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is COc1cccc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is MDADCSUUBYFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c1-22-16-9-5-8-13-10-14(19(21)23-17(13)16)18-20-15(11-24-18)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one?
8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 335.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).