2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide

C17H12N2O3S — CID 46846614

IUPAC2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)cs2)c2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3S/c1-21-13-7-6-10(17-19-11(8-23-17)16(18)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H2,18,20)
InChIKeyOAGLCSHEZLIPME-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide

2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 46846614) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID46846614
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)cs2)c2c1oc1ccccc12
InChIInChI=1S/C17H12N2O3S/c1-21-13-7-6-10(17-19-11(8-23-17)16(18)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H2,18,20)
InChIKeyOAGLCSHEZLIPME-UHFFFAOYSA-N
XLogP3.82
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide (CID 46846614) is 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(N)=O)cs2)c2c1oc1ccccc12.
What is the InChIKey of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OAGLCSHEZLIPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-21-13-7-6-10(17-19-11(8-23-17)16(18)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H2,18,20).
What are the key properties of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide?
2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).