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

C14H12ClF3N2O2S — CID 155510895

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
SMILESO=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C14H12ClF3N2O2S/c15-11-8-19-13(23-11)20-12(21)5-2-6-22-10-4-1-3-9(7-10)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21)
InChIKeyFIJNLINEUGMZSM-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.61
Rot. Bonds6

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

N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide (PubChem CID 155510895) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
PubChem CID155510895
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide
SMILESO=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(Cl)s1
InChIInChI=1S/C14H12ClF3N2O2S/c15-11-8-19-13(23-11)20-12(21)5-2-6-22-10-4-1-3-9(7-10)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21)
InChIKeyFIJNLINEUGMZSM-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.61
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
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
N-(5-methylthiazol-2-yl)-4-phenoxy-butanamide
CID 2673048
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
N-(5-chlorothiazol-2-yl)-4-phenoxy-butanamide
CID 145420084
4-(3-chloro-4-methyl-phenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 145420105
4-(3-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 145420134
4-(4-chloro-3-methyl-phenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 145420135
4-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420136

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide (CID 155510895) is N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide is O=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide?
The InChIKey is FIJNLINEUGMZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c15-11-8-19-13(23-11)20-12(21)5-2-6-22-10-4-1-3-9(7-10)14(16,17)18/h1,3-4,7-8H,2,5-6H2,(H,19,20,21).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide has a molecular weight of 364.78 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]butanamide is sourced from PubChem (CID 155510895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).