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

C16H14N2O3S — CID 648119

IUPAC5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-16-17-8-9-22-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyQUIVWIOEHZGROL-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.88
Rot. Bonds5

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

5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 648119) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID648119
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1
InChIInChI=1S/C16H14N2O3S/c1-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-16-17-8-9-22-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyQUIVWIOEHZGROL-UHFFFAOYSA-N
XLogP3.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 648119) is 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is QUIVWIOEHZGROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-16-17-8-9-22-16/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 648119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).