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

C14H14F3N3O2S — CID 155521580

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-8-19-13(23-9)20-12(21)3-2-6-22-10-4-5-18-11(7-10)14(15,16)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyHLBZPDIHWMEYGP-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.66
Rot. Bonds6

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

N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide (PubChem CID 155521580) 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-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide
PubChem CID155521580
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccnc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H14F3N3O2S/c1-9-8-19-13(23-9)20-12(21)3-2-6-22-10-4-5-18-11(7-10)14(15,16)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21)
InChIKeyHLBZPDIHWMEYGP-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
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162650153
N-[5-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]-6-azaspiro[3.4]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162661540
4-Methoxy-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 44391567
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-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
4-[(2-chloro-4-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155523431
4-(4-aminophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155531584
4-(3-acetamidophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155541359
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
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-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide (CID 155521580) is N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide is Cc1cnc(NC(=O)CCCOc2ccnc(C(F)(F)F)c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide?
The InChIKey is HLBZPDIHWMEYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-9-8-19-13(23-9)20-12(21)3-2-6-22-10-4-5-18-11(7-10)14(15,16)17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-[[2-(trifluoromethyl)-4-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-[[2-(trifluoromethyl)-4-pyridinyl]oxy]butanamide is sourced from PubChem (CID 155521580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).