5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C26H23F6NO3S — CID 85071073

IUPAC5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(C=C4SC(=O)NC4=O)ccc3OC(F)(F)F)cc21
InChIInChI=1S/C26H23F6NO3S/c1-23(2)7-8-24(3,4)18-12-16(25(27,28)29)14(11-17(18)23)15-9-13(5-6-19(15)36-26(30,31)32)10-20-21(34)33-22(35)37-20/h5-6,9-12H,7-8H2,1-4H3,(H,33,34,35)
InChIKeyCZSBIXAYWPGICH-UHFFFAOYSA-N
MW543.53 g/mol
LogP7.94
Rot. Bonds3

About 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 85071073) has the molecular formula C26H23F6NO3S and a molecular weight of 543.53 g/mol. Its IUPAC name is 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID85071073
Molecular FormulaC26H23F6NO3S
Molecular Weight543.53 g/mol
Exact Mass543.13
IUPAC Name5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(C=C4SC(=O)NC4=O)ccc3OC(F)(F)F)cc21
InChIInChI=1S/C26H23F6NO3S/c1-23(2)7-8-24(3,4)18-12-16(25(27,28)29)14(11-17(18)23)15-9-13(5-6-19(15)36-26(30,31)32)10-20-21(34)33-22(35)37-20/h5-6,9-12H,7-8H2,1-4H3,(H,33,34,35)
InChIKeyCZSBIXAYWPGICH-UHFFFAOYSA-N
XLogP7.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.53
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione 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

5-[[3-methyl-4-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85051232
4-[[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,5-dione
CID 66648552
5-[[3-(8-methoxyimino-3,5,5-trimethyl-6,7-dihydronaphthalen-2-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85075591
5-[[3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86590247
(NE)-N-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 59065280
methyl 7-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 58824803
5-[[3-[8-(furan-2-yl)-3,5,5-trimethyl-6H-naphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72614970
(5E)-5-[[3-[5-(methoxymethyl)-3,3-dimethyl-2H-1-benzofuran-7-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10217449
5-[[3-(1-benzyl-3,3,5-trimethyl-2-oxoindol-6-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85330283
(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 23560011
5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74403639
1,1,4,4-tetramethyl-6-[5-(nitrosomethyl)-2-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-2,3-dihydronaphthalene
CID 91012072

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 85071073) is 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is CC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3cc(C=C4SC(=O)NC4=O)ccc3OC(F)(F)F)cc21.
What is the InChIKey of 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CZSBIXAYWPGICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6NO3S/c1-23(2)7-8-24(3,4)18-12-16(25(27,28)29)14(11-17(18)23)15-9-13(5-6-19(15)36-26(30,31)32)10-20-21(34)33-22(35)37-20/h5-6,9-12H,7-8H2,1-4H3,(H,33,34,35).
What are the key properties of 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 543.53 g/mol, XLogP of 7.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 85071073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).