5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C16H13FN2O3S — CID 50904129

IUPAC5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(COc3ccccc3F)o2)n1
InChIInChI=1S/C16H13FN2O3S/c1-10-9-23-16(18-10)19-15(20)14-7-6-11(22-14)8-21-13-5-3-2-4-12(13)17/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyRGUDQFXDXGWERA-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.01
Rot. Bonds5

About 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 50904129) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID50904129
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(COc3ccccc3F)o2)n1
InChIInChI=1S/C16H13FN2O3S/c1-10-9-23-16(18-10)19-15(20)14-7-6-11(22-14)8-21-13-5-3-2-4-12(13)17/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyRGUDQFXDXGWERA-UHFFFAOYSA-N
XLogP4.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 50904129) is 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1csc(NC(=O)c2ccc(COc3ccccc3F)o2)n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is RGUDQFXDXGWERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-10-9-23-16(18-10)19-15(20)14-7-6-11(22-14)8-21-13-5-3-2-4-12(13)17/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 50904129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).