3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one

C15H17ClF3NOS — CID 5060370

IUPAC3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCC(C)(CCl)C(=O)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17ClF3NOS/c1-14(2,9-16)13(21)20-7-8-22-12(20)10-3-5-11(6-4-10)15(17,18)19/h3-6,12H,7-9H2,1-2H3
InChIKeyWDKSJPGRDIIIJI-UHFFFAOYSA-N
MW351.82 g/mol
LogP4.54
Rot. Bonds3

About 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one

3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 5060370) has the molecular formula C15H17ClF3NOS and a molecular weight of 351.82 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID5060370
Molecular FormulaC15H17ClF3NOS
Molecular Weight351.82 g/mol
Exact Mass351.07
IUPAC Name3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one
SMILESCC(C)(CCl)C(=O)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17ClF3NOS/c1-14(2,9-16)13(21)20-7-8-22-12(20)10-3-5-11(6-4-10)15(17,18)19/h3-6,12H,7-9H2,1-2H3
InChIKeyWDKSJPGRDIIIJI-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one 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

3,5,5-trimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]hexan-1-one
CID 4258928
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
N-(1-adamantyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3412390
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
thiophen-2-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293
(2,6-dimethoxyphenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024103
furan-3-yl-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 99985470
(2-fluorophenyl)-[(2S)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024047
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one (CID 5060370) is 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one is CC(C)(CCl)C(=O)N1CCSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is WDKSJPGRDIIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3NOS/c1-14(2,9-16)13(21)20-7-8-22-12(20)10-3-5-11(6-4-10)15(17,18)19/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one?
3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 351.82 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 5060370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).