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

C12H11FN2O2S — CID 2739506

IUPAC3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-10(4-2-9)17-7-5-11(16)15-12-14-6-8-18-12/h1-4,6,8H,5,7H2,(H,14,15,16)
InChIKeyQMZRWTIZCROREY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds5

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

3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2739506) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2739506
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1ccc(F)cc1)Nc1nccs1
InChIInChI=1S/C12H11FN2O2S/c13-9-1-3-10(4-2-9)17-7-5-11(16)15-12-14-6-8-18-12/h1-4,6,8H,5,7H2,(H,14,15,16)
InChIKeyQMZRWTIZCROREY-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea
CID 3003029
2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
4-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1568895

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide (CID 2739506) is 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCOc1ccc(F)cc1)Nc1nccs1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QMZRWTIZCROREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-1-3-10(4-2-9)17-7-5-11(16)15-12-14-6-8-18-12/h1-4,6,8H,5,7H2,(H,14,15,16).
What are the key properties of 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 266.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2739506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).