N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide

C15H15F3N2O2S — CID 145420161

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2O2S/c1-10-9-19-14(23-10)20-13(21)3-2-8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,20,21)
InChIKeyFWAZEKBHVCMYAC-UHFFFAOYSA-N
MW344.36 g/mol
LogP4.27
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide

N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide (PubChem CID 145420161) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide
PubChem CID145420161
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H15F3N2O2S/c1-10-9-19-14(23-10)20-13(21)3-2-8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,20,21)
InChIKeyFWAZEKBHVCMYAC-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.27
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-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678142
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381
US10913733, Example 42
CID 137361278
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
3-(4-methoxyphenyl)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)acrylamide
CID 1113594
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide (CID 145420161) is N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide is Cc1cnc(NC(=O)CCCOc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide?
The InChIKey is FWAZEKBHVCMYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-10-9-19-14(23-10)20-13(21)3-2-8-22-12-6-4-11(5-7-12)15(16,17)18/h4-7,9H,2-3,8H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide has a molecular weight of 344.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenoxy]butanamide is sourced from PubChem (CID 145420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).