4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide

C17H15FN2O3S — CID 60550069

IUPAC4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H15FN2O3S/c18-12-5-1-2-6-14(12)22-10-4-8-16(21)20-17-19-13(11-24-17)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20,21)
InChIKeyWLPDIMCDVQHVJV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.34
Rot. Bonds7

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

4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 60550069) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID60550069
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H15FN2O3S/c18-12-5-1-2-6-14(12)22-10-4-8-16(21)20-17-19-13(11-24-17)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20,21)
InChIKeyWLPDIMCDVQHVJV-UHFFFAOYSA-N
XLogP4.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 52715173
4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-nitrophenoxy)butanamide
CID 84560881
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 84560731
4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
CID 110473898
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 90605719
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenoxy)acetamide
CID 8571260
2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 112842545
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23745940

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide (CID 60550069) is 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide is O=C(CCCOc1ccccc1F)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is WLPDIMCDVQHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-12-5-1-2-6-14(12)22-10-4-8-16(21)20-17-19-13(11-24-17)15-7-3-9-23-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,20,21).
What are the key properties of 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide?
4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 346.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 60550069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).