(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one

C20H21N3OS — CID 16633155

IUPAC(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-3-22(4-2)16-12-10-15(11-13-16)14-18-19(24)23(20(21)25-18)17-8-6-5-7-9-17/h5-14,21H,3-4H2,1-2H3/b18-14-,21-20-
InChIKeyCFBIKLMJBQPMMI-PTPABZONSA-N
MW351.48 g/mol
LogP4.59
Rot. Bonds5

About (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 16633155) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
PubChem CID16633155
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-3-22(4-2)16-12-10-15(11-13-16)14-18-19(24)23(20(21)25-18)17-8-6-5-7-9-17/h5-14,21H,3-4H2,1-2H3/b18-14-,21-20-
InChIKeyCFBIKLMJBQPMMI-PTPABZONSA-N
XLogP4.59
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126063274
5-[[4-(dimethylamino)phenyl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-imino-1,3-thiazolidin-4-one
CID 3446741
5-[[4-(diethylamino)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2906289
(5Z)-5-[(4-bromophenyl)methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 16633173
3-[4-(diethylamino)phenyl]-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3818873
5-[(4-bromophenyl)methylidene]-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3110971
(5Z)-5-benzylidene-3-(3,4-dichlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633608
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-imino-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633589
5-[[4-(diethylamino)phenyl]methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2921015
(5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16633628

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one (CID 16633155) is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CFBIKLMJBQPMMI-PTPABZONSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-3-22(4-2)16-12-10-15(11-13-16)14-18-19(24)23(20(21)25-18)17-8-6-5-7-9-17/h5-14,21H,3-4H2,1-2H3/b18-14-,21-20-.
What are the key properties of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 351.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).