N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C12H13F3N2O2S — CID 61254584

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CSCN1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)19-10-4-2-1-3-8(10)5-16-11(18)9-6-20-7-17-9/h1-4,9,17H,5-7H2,(H,16,18)
InChIKeyQQEIBILFMCKZMZ-UHFFFAOYSA-N
MW306.31 g/mol
LogP1.86
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61254584) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61254584
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CSCN1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)19-10-4-2-1-3-8(10)5-16-11(18)9-6-20-7-17-9/h1-4,9,17H,5-7H2,(H,16,18)
InChIKeyQQEIBILFMCKZMZ-UHFFFAOYSA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119275613
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 61254584) is N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)C1CSCN1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QQEIBILFMCKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)19-10-4-2-1-3-8(10)5-16-11(18)9-6-20-7-17-9/h1-4,9,17H,5-7H2,(H,16,18).
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61254584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).