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

C14H17N3OS — CID 138376629

IUPAC(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)S1
InChIInChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(15)19-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18)/b12-9-
InChIKeyMMEQBAAOGVIZST-XFXZXTDPSA-N
MW275.38 g/mol
LogP2.67
Rot. Bonds4

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

(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 138376629) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID138376629
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)S1
InChIInChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(15)19-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18)/b12-9-
InChIKeyMMEQBAAOGVIZST-XFXZXTDPSA-N
XLogP2.67
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

5-(4-(Dimethylamino)benzylidene)rhodanine
CID 2723826
4-Dimethylaminobenzylidenerhodanine
CID 1273211
4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
CID 3034543
p-Dimethylaminobenzalrhodanine
CID 1273212
5-{[4-(Dimethylamino)phenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1641793
Pfm39
CID 141991257
4-Thiazolidinone, 5-((4-(diethylamino)phenyl)methylene)-2-thioxo-
CID 1237173
5-(4-Diethylaminobenzylidene)rhodanine
CID 1237172
3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione
CID 2329349
5-(4-Dimethylamino-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 715217
(2Z,5Z)-5-benzylidene-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 1592196
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 138376629) is (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2ccc(N(CC)CC)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is MMEQBAAOGVIZST-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(15)19-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18)/b12-9-.
What are the key properties of (5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 275.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 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-1,3-thiazolidin-4-one is sourced from PubChem (CID 138376629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).