ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

C24H18N2O4S — CID 46846700

IUPACethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)n1
InChIInChI=1S/C24H18N2O4S/c1-3-29-24(27)17-9-6-8-16(25-17)18-13-31-23(26-18)15-11-12-20(28-2)22-21(15)14-7-4-5-10-19(14)30-22/h4-13H,3H2,1-2H3
InChIKeyPTWFYCPLWDTMLN-UHFFFAOYSA-N
MW430.49 g/mol
LogP5.96
Rot. Bonds5

About ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (PubChem CID 46846700) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
PubChem CID46846700
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Nameethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)n1
InChIInChI=1S/C24H18N2O4S/c1-3-29-24(27)17-9-6-8-16(25-17)18-13-31-23(26-18)15-11-12-20(28-2)22-21(15)14-7-4-5-10-19(14)30-22/h4-13H,3H2,1-2H3
InChIKeyPTWFYCPLWDTMLN-UHFFFAOYSA-N
XLogP5.96
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (CID 46846700) is ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)n1.
What is the InChIKey of ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The InChIKey is PTWFYCPLWDTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-3-29-24(27)17-9-6-8-16(25-17)18-13-31-23(26-18)15-11-12-20(28-2)22-21(15)14-7-4-5-10-19(14)30-22/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate has a molecular weight of 430.49 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(4-methoxydibenzofuran-1-yl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 46846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).