5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C21H20N2O2S — CID 3633056

IUPAC5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)s2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-4-8-16(9-5-14)18(24)13-20-22-21(25)19(26-20)12-15-6-10-17(11-7-15)23(2)3/h4-13H,1-3H3,(H,22,25)
InChIKeyPTPIDVRZVKAMBU-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.30
Rot. Bonds4

About 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 3633056) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID3633056
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)s2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-4-8-16(9-5-14)18(24)13-20-22-21(25)19(26-20)12-15-6-10-17(11-7-15)23(2)3/h4-13H,1-3H3,(H,22,25)
InChIKeyPTPIDVRZVKAMBU-UHFFFAOYSA-N
XLogP2.30
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(2E,5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 21157240
4-[(Z)-[(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 167917751
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830574
2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1,3-thiazolidin-4-one
CID 4793376
5-[(4-chlorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4854641
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
4-[(E)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 9447781
(2Z,5E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 86775981
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8832477
2-[4-[(E)-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9037138

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 3633056) is 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)s2)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is PTPIDVRZVKAMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-4-8-16(9-5-14)18(24)13-20-22-21(25)19(26-20)12-15-6-10-17(11-7-15)23(2)3/h4-13H,1-3H3,(H,22,25).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 364.47 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3633056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).