N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide

C15H19F3N2O2S — CID 119344747

IUPACN-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(CNC(=O)C1CSCN1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c1-2-10(7-19-14(21)12-8-23-9-20-12)22-13-6-4-3-5-11(13)15(16,17)18/h3-6,10,12,20H,2,7-9H2,1H3,(H,19,21)
InChIKeyOHVUPLFYCFMLKQ-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide

N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119344747) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119344747
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC NameN-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(CNC(=O)C1CSCN1)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2S/c1-2-10(7-19-14(21)12-8-23-9-20-12)22-13-6-4-3-5-11(13)15(16,17)18/h3-6,10,12,20H,2,7-9H2,1H3,(H,19,21)
InChIKeyOHVUPLFYCFMLKQ-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 119344757
(2R)-5-oxo-N-[(2R)-2-[2-(trifluoromethyl)phenoxy]butyl]pyrrolidine-2-carboxamide
CID 97018652
N-[(2S)-2-[2-(trifluoromethyl)phenoxy]butyl]oxane-4-carboxamide
CID 97016575
(2S,5R)-5-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenoxy]butyl]oxolane-2-carboxamide;hydrochloride
CID 120796477
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
(2S)-2-amino-4-methylsulfanyl-N-[2-[2-(trifluoromethyl)phenoxy]butyl]butanamide;hydrochloride
CID 119344754
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119299219
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-(2-ethyl-2-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119337615
N-[2-(3-fluorophenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119335633

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide (CID 119344747) is N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide is CCC(CNC(=O)C1CSCN1)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OHVUPLFYCFMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c1-2-10(7-19-14(21)12-8-23-9-20-12)22-13-6-4-3-5-11(13)15(16,17)18/h3-6,10,12,20H,2,7-9H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide?
N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)phenoxy]butyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119344747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).