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

C15H11ClN2O3S — CID 717217

IUPAC5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O3S/c16-10-1-3-11(4-2-10)20-9-12-5-6-13(21-12)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19)
InChIKeyQWULGXCWMWRCLT-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.22
Rot. Bonds5

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

5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 717217) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID717217
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C15H11ClN2O3S/c16-10-1-3-11(4-2-10)20-9-12-5-6-13(21-12)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19)
InChIKeyQWULGXCWMWRCLT-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 717217) is 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is QWULGXCWMWRCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-1-3-11(4-2-10)20-9-12-5-6-13(21-12)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 717217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).