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

C14H15FN2O2S — CID 47336960

IUPAC4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(F)c2)s1
InChIInChI=1S/C14H15FN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyYDEJUUCRXBDQKC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds6

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

4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47336960) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47336960
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(F)c2)s1
InChIInChI=1S/C14H15FN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyYDEJUUCRXBDQKC-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
4-(3-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 55939279
4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 52714970
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 100831232
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
2-(3-acetylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673036
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 52717221
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 47336960) is 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cccc(F)c2)s1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is YDEJUUCRXBDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 294.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47336960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).