2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane

C19H28F3N3OS — CID 143468056

IUPAC2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane
SMILESCC.CN(C)CCCc1ccc(C/N=C2\NC(=O)C(C)(C(F)(F)F)S2)cc1
InChIInChI=1S/C17H22F3N3OS.C2H6/c1-16(17(18,19)20)14(24)22-15(25-16)21-11-13-8-6-12(7-9-13)5-4-10-23(2)3;1-2/h6-9H,4-5,10-11H2,1-3H3,(H,21,22,24);1-2H3
InChIKeyJDRKQQYXVCDKPK-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.25
Rot. Bonds6

About 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane

2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane (PubChem CID 143468056) has the molecular formula C19H28F3N3OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane.

Molecular Properties

Compound Name2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane
PubChem CID143468056
Molecular FormulaC19H28F3N3OS
Molecular Weight403.51 g/mol
Exact Mass403.19
IUPAC Name2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane
SMILESCC.CN(C)CCCc1ccc(C/N=C2\NC(=O)C(C)(C(F)(F)F)S2)cc1
InChIInChI=1S/C17H22F3N3OS.C2H6/c1-16(17(18,19)20)14(24)22-15(25-16)21-11-13-8-6-12(7-9-13)5-4-10-23(2)3;1-2/h6-9H,4-5,10-11H2,1-3H3,(H,21,22,24);1-2H3
InChIKeyJDRKQQYXVCDKPK-UHFFFAOYSA-N
XLogP4.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
CID 143468326
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
CID 170865966
4-[4-[3-(dimethylamino)propyl]phenyl]-1,3-oxazolidin-2-one
CID 58229135
3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865824
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865230
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
CID 19883676
4-[4-(3-fluorooxetan-3-yl)phenyl]-N,N-dimethylbutan-1-amine
CID 46889756
N,N-dimethyl-3-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-amine
CID 170866049
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane?
The IUPAC name of 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane (CID 143468056) is 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane.
What is the SMILES notation for 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane?
The canonical SMILES for 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane is CC.CN(C)CCCc1ccc(C/N=C2\NC(=O)C(C)(C(F)(F)F)S2)cc1.
What is the InChIKey of 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane?
The InChIKey is JDRKQQYXVCDKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3OS.C2H6/c1-16(17(18,19)20)14(24)22-15(25-16)21-11-13-8-6-12(7-9-13)5-4-10-23(2)3;1-2/h6-9H,4-5,10-11H2,1-3H3,(H,21,22,24);1-2H3.
What are the key properties of 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane?
2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane has a molecular weight of 403.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(dimethylamino)propyl]phenyl]methylimino]-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one;ethane is sourced from PubChem (CID 143468056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).