5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

C14H15F3N2OS — CID 135678109

IUPAC5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C14H15F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyBNGZBGRFUCBRBU-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.97
Rot. Bonds2

About 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one

5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135678109) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135678109
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C14H15F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyBNGZBGRFUCBRBU-UHFFFAOYSA-N
XLogP3.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-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

2-p-Tolylamino-thiazol-4-one
CID 135411781
(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one
CID 135566336
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
5-Isopropyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135414361
2-Anilino-5-isopropyl-thiazol-4-one
CID 135425127
2-(2-Fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135581720
5-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135950129
2-(2,4-Difluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135678109) is 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is BNGZBGRFUCBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-8(2)13(3)11(20)19-12(21-13)18-10-7-5-4-6-9(10)14(15,16)17/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 316.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135678109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).