N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide

C14H14F3N3O2S — CID 155544176

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-8-18-13(23-9)20-11(21)5-3-7-22-12-6-2-4-10(19-12)14(15,16)17/h2,4,6,8H,3,5,7H2,1H3,(H,18,20,21)
InChIKeyYADXHYGKXJNCGM-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.66
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide

N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide (PubChem CID 155544176) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide
PubChem CID155544176
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-8-18-13(23-9)20-11(21)5-3-7-22-12-6-2-4-10(19-12)14(15,16)17/h2,4,6,8H,3,5,7H2,1H3,(H,18,20,21)
InChIKeyYADXHYGKXJNCGM-UHFFFAOYSA-N
XLogP3.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 2578872
2-(4-fluorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 24688073
4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
N-[5-[[4-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-propoxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177311787
N-[6-(2,2-difluoroethoxy)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 75436662
2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 84597082
N-(5-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
N-(5-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridyl]oxy]butanamide
CID 155521580
4-(4-aminophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155531584
4-(3-acetamidophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155541359
4-(3-aminophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155547368

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide (CID 155544176) is N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide is Cc1cnc(NC(=O)CCCOc2cccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide?
The InChIKey is YADXHYGKXJNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-9-8-18-13(23-9)20-11(21)5-3-7-22-12-6-2-4-10(19-12)14(15,16)17/h2,4,6,8H,3,5,7H2,1H3,(H,18,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide has a molecular weight of 345.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butanamide is sourced from PubChem (CID 155544176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).