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

C14H14F3N3O2S — CID 155549471

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-6-19-13(23-9)20-12(21)3-2-4-22-11-5-10(7-18-8-11)14(15,16)17/h5-8H,2-4H2,1H3,(H,19,20,21)
InChIKeyKISJZXLRPJGWQL-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.66
Rot. Bonds6

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

N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide (PubChem CID 155549471) 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-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide
PubChem CID155549471
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2cncc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-6-19-13(23-9)20-12(21)3-2-4-22-11-5-10(7-18-8-11)14(15,16)17/h5-8H,2-4H2,1H3,(H,19,20,21)
InChIKeyKISJZXLRPJGWQL-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-[(5-chloro-3-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155518226
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
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
4-[(4-cyano-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155552810
4-[(5-cyano-3-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155556851
US20240308995, Example 1-85
CID 153550337
US20240308995, Example 1-115
CID 153550421
US20240308995, Example 1-13
CID 153550458
N-[4-[(5-methyl-2-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 71867421
5-((5-(Trifluoromethyl)pyridin-2-yl)oxy)thiazol-2-amine
CID 87075885
N-[5-(5-methoxypyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 87176806

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide (CID 155549471) is N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide is Cc1cnc(NC(=O)CCCOc2cncc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide?
The InChIKey is KISJZXLRPJGWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-9-6-19-13(23-9)20-12(21)3-2-4-22-11-5-10(7-18-8-11)14(15,16)17/h5-8H,2-4H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[[5-(trifluoromethyl)-3-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-[[5-(trifluoromethyl)-3-pyridinyl]oxy]butanamide is sourced from PubChem (CID 155549471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).