2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide

C18H12F2N2O4S — CID 46846420

IUPAC2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1
InChIInChI=1S/C18H12F2N2O4S/c1-24-22-16(23)11-8-27-17(21-11)10-6-7-13(26-18(19)20)15-14(10)9-4-2-3-5-12(9)25-15/h2-8,18H,1H3,(H,22,23)
InChIKeyZGNOLMCIHRROPB-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.60
Rot. Bonds5

About 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide

2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide (PubChem CID 46846420) has the molecular formula C18H12F2N2O4S and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide
PubChem CID46846420
Molecular FormulaC18H12F2N2O4S
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC Name2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide
SMILESCONC(=O)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1
InChIInChI=1S/C18H12F2N2O4S/c1-24-22-16(23)11-8-27-17(21-11)10-6-7-13(26-18(19)20)15-14(10)9-4-2-3-5-12(9)25-15/h2-8,18H,1H3,(H,22,23)
InChIKeyZGNOLMCIHRROPB-UHFFFAOYSA-N
XLogP4.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide 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 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide (CID 46846420) is 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide is CONC(=O)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide?
The InChIKey is ZGNOLMCIHRROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O4S/c1-24-22-16(23)11-8-27-17(21-11)10-6-7-13(26-18(19)20)15-14(10)9-4-2-3-5-12(9)25-15/h2-8,18H,1H3,(H,22,23).
What are the key properties of 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide?
2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)dibenzofuran-1-yl]-N-methoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).