4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

C19H17FN2O2S — CID 52715173

IUPAC4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17FN2O2S/c20-15-9-4-5-10-17(15)24-12-6-11-18(23)22-19-21-16(13-25-19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,21,22,23)
InChIKeyCXHXXXLPPIKOCD-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.75
Rot. Bonds7

About 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide

4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 52715173) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID52715173
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccccc1F)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17FN2O2S/c20-15-9-4-5-10-17(15)24-12-6-11-18(23)22-19-21-16(13-25-19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,21,22,23)
InChIKeyCXHXXXLPPIKOCD-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-fluorophenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55928851
4-(2-fluorophenoxy)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]butanamide
CID 60550069
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-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 19206271
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
4-(4-fluorophenyl)sulfanyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41086951
4-(2-bromo-4-ethylphenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19202822

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide (CID 52715173) is 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is O=C(CCCOc1ccccc1F)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is CXHXXXLPPIKOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-15-9-4-5-10-17(15)24-12-6-11-18(23)22-19-21-16(13-25-19)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,21,22,23).
What are the key properties of 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide?
4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 52715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).