(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C27H31NO2S — CID 23560011

IUPAC(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H31NO2S/c1-7-18-14-21-22(27(5,6)11-10-26(21,3)4)15-20(18)19-12-17(9-8-16(19)2)13-23-24(29)28-25(30)31-23/h8-9,12-15H,7,10-11H2,1-6H3,(H,28,29,30)/b23-13-
InChIKeyAYKANSZSVQCLKJ-QRVIBDJDSA-N
MW433.62 g/mol
LogP6.90
Rot. Bonds3

About (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 23560011) has the molecular formula C27H31NO2S and a molecular weight of 433.62 g/mol. Its IUPAC name is (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID23560011
Molecular FormulaC27H31NO2S
Molecular Weight433.62 g/mol
Exact Mass433.21
IUPAC Name(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1C)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H31NO2S/c1-7-18-14-21-22(27(5,6)11-10-26(21,3)4)15-20(18)19-12-17(9-8-16(19)2)13-23-24(29)28-25(30)31-23/h8-9,12-15H,7,10-11H2,1-6H3,(H,28,29,30)/b23-13-
InChIKeyAYKANSZSVQCLKJ-QRVIBDJDSA-N
XLogP6.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]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

(5E)-5-[[3-fluoro-4-hydroxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87843043
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
(5Z)-5-[[3,4-dimethoxy-5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 22268310
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
(5E)-5-[[4-(dimethylamino)-3-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87929132
(5E)-5-[[4-(dimethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87891091
5-[[4-(ethylamino)-3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87888446
(5Z)-5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10296563
4-methyl-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzaldehyde
CID 91108589
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
(5Z)-5-[[4-(dimethylamino)-3-(1,4,4,6-tetramethyl-2-oxo-3H-quinolin-7-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10310488
5-[(2-methyl-1-benzofuran-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 71378242

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (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) is (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is CCc1cc2c(cc1-c1cc(/C=C3\SC(=O)NC3=O)ccc1C)C(C)(C)CCC2(C)C.
What is the InChIKey of (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AYKANSZSVQCLKJ-QRVIBDJDSA-N. The full InChI is InChI=1S/C27H31NO2S/c1-7-18-14-21-22(27(5,6)11-10-26(21,3)4)15-20(18)19-12-17(9-8-16(19)2)13-23-24(29)28-25(30)31-23/h8-9,12-15H,7,10-11H2,1-6H3,(H,28,29,30)/b23-13-.
What are the key properties of (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 433.62 g/mol, XLogP of 6.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4-methylphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23560011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).