N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H17ClF3N3O2S — CID 119294213

IUPACN-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(Cc1cccc(NC(=O)C2CSCN2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C14H16F3N3O2S.ClH/c1-20(13(22)14(15,16)17)6-9-3-2-4-10(5-9)19-12(21)11-7-23-8-18-11;/h2-5,11,18H,6-8H2,1H3,(H,19,21);1H
InChIKeyQIODBIAJGRMZCN-UHFFFAOYSA-N
MW383.82 g/mol
LogP2.23
Rot. Bonds4

About N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119294213) has the molecular formula C14H17ClF3N3O2S and a molecular weight of 383.82 g/mol. Its IUPAC name is N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119294213
Molecular FormulaC14H17ClF3N3O2S
Molecular Weight383.82 g/mol
Exact Mass383.07
IUPAC NameN-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCN(Cc1cccc(NC(=O)C2CSCN2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C14H16F3N3O2S.ClH/c1-20(13(22)14(15,16)17)6-9-3-2-4-10(5-9)19-12(21)11-7-23-8-18-11;/h2-5,11,18H,6-8H2,1H3,(H,19,21);1H
InChIKeyQIODBIAJGRMZCN-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride 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-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
CID 119732249
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257

Frequently Asked Questions

What is the IUPAC name of N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119294213) is N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CN(Cc1cccc(NC(=O)C2CSCN2)c1)C(=O)C(F)(F)F.Cl.
What is the InChIKey of N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is QIODBIAJGRMZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S.ClH/c1-20(13(22)14(15,16)17)6-9-3-2-4-10(5-9)19-12(21)11-7-23-8-18-11;/h2-5,11,18H,6-8H2,1H3,(H,19,21);1H.
What are the key properties of N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 383.82 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119294213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).