(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one

C20H28N2O2S — CID 10067111

IUPAC(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one
SMILESCN(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(25-15)22(7)8/h9-11,23H,1-8H3/b15-11-
InChIKeyBGTQMUMIKLPHHV-PTNGSMBKSA-N
MW360.52 g/mol
LogP4.52
Rot. Bonds1

About (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one

(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one (PubChem CID 10067111) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one
PubChem CID10067111
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one
SMILESCN(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(25-15)22(7)8/h9-11,23H,1-8H3/b15-11-
InChIKeyBGTQMUMIKLPHHV-PTNGSMBKSA-N
XLogP4.52
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-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

Darbufelone
CID 6444826
4(5H)-Thiazolone, 2-amino-5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-, (5Z)-, methanesulfonate (1:1)
CID 6439420
Ci 987
CID 6444394
(5Z)-5-(3,5-ditert-butyl-4-hydroxybenzylidene)-2-(methylsulfanyl)-1,3-thiazol-4(5H)-one
CID 10406427
5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-2-methylsulfanyl-oxazol-4-one
CID 11725274
[(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]cyanamide
CID 135430565
(2E,5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methoxyimino-1,3-thiazolidin-4-one
CID 135444631
LY-221068
CID 6439333
LY 178002
CID 6439155
(5E)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 6439421
N-[5-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-4-oxo-4,5-dihydro-thiazol-2-yl]-guanidine
CID 10022305
(5Z)-5-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylidene]-1,3-thiazolidine-2,4-dione
CID 10247111

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one (CID 10067111) is (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one is CN(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1.
What is the InChIKey of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one?
The InChIKey is BGTQMUMIKLPHHV-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-19(2,3)13-9-12(10-14(16(13)23)20(4,5)6)11-15-17(24)21-18(25-15)22(7)8/h9-11,23H,1-8H3/b15-11-.
What are the key properties of (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one?
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one has a molecular weight of 360.52 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-(dimethylamino)-1,3-thiazol-4-one is sourced from PubChem (CID 10067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).