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

C20H16N2O4S — CID 5153332

IUPAC8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1
InChIInChI=1S/C20H16N2O4S/c1-24-14-8-6-13(7-9-14)21-20-22-16(11-27-20)15-10-12-4-3-5-17(25-2)18(12)26-19(15)23/h3-11H,1-2H3,(H,21,22)
InChIKeyNEQLPJLCXDTGLH-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.68
Rot. Bonds5

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

8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 5153332) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID5153332
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
SMILESCOc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1
InChIInChI=1S/C20H16N2O4S/c1-24-14-8-6-13(7-9-14)21-20-22-16(11-27-20)15-10-12-4-3-5-17(25-2)18(12)26-19(15)23/h3-11H,1-2H3,(H,21,22)
InChIKeyNEQLPJLCXDTGLH-UHFFFAOYSA-N
XLogP4.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.68
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 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one (CID 5153332) is 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is COc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1.
What is the InChIKey of 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is NEQLPJLCXDTGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-24-14-8-6-13(7-9-14)21-20-22-16(11-27-20)15-10-12-4-3-5-17(25-2)18(12)26-19(15)23/h3-11H,1-2H3,(H,21,22).
What are the key properties of 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one?
8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 380.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 5153332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).