2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C14H15FN2O2S — CID 17190951

IUPAC2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H15FN2O2S/c1-3-12(19-11-6-4-10(15)5-7-11)13(18)17-14-16-8-9(2)20-14/h4-8,12H,3H2,1-2H3,(H,16,17,18)
InChIKeyXMOHGUBNQYPHKQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 17190951) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID17190951
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C14H15FN2O2S/c1-3-12(19-11-6-4-10(15)5-7-11)13(18)17-14-16-8-9(2)20-14/h4-8,12H,3H2,1-2H3,(H,16,17,18)
InChIKeyXMOHGUBNQYPHKQ-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 35042968
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-2-(4-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 1252669
2-(4-fluorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133184293
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 17249225

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 17190951) is 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XMOHGUBNQYPHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-3-12(19-11-6-4-10(15)5-7-11)13(18)17-14-16-8-9(2)20-14/h4-8,12H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 294.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 17190951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).