(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C14H15NO2S — CID 6374855

IUPAC(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C14H15NO2S/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)/b11-8-
InChIKeyLCMWJRBNDRHCJL-FLIBITNWSA-N
MW261.35 g/mol
LogP3.31
Rot. Bonds1

About (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6374855) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6374855
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C14H15NO2S/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)/b11-8-
InChIKeyLCMWJRBNDRHCJL-FLIBITNWSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.31
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'}

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Related Compounds

5-[(4-tert-butylphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135444255
(5E)-5-[(4-tert-butylphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135618933
(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
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5Z)-5-[[6-(4-tert-butylphenyl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953793
5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74403639
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154812350
4-[[(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzenesulfonamide
CID 135711742
N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
CID 177374796
4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoyl]amino]benzoic acid
CID 7172486

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6374855) is (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is CC(C)(C)c1ccc(/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LCMWJRBNDRHCJL-FLIBITNWSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-14(2,3)10-6-4-9(5-7-10)8-11-12(16)15-13(17)18-11/h4-8H,1-3H3,(H,15,16,17)/b11-8-.
What are the key properties of (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 261.35 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6374855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).