(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C18H19N3OS2 — CID 135563100

IUPAC(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/N=C2\NC(=O)/C(=C\c3cccs3)S2)cc1
InChIInChI=1S/C18H19N3OS2/c1-3-21(4-2)14-9-7-13(8-10-14)19-18-20-17(22)16(24-18)12-15-6-5-11-23-15/h5-12H,3-4H2,1-2H3,(H,19,20,22)/b16-12+
InChIKeyGVIBQFICTOSXCW-FOWTUZBSSA-N
MW357.50 g/mol
LogP4.49
Rot. Bonds5

About (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135563100) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135563100
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCCN(CC)c1ccc(/N=C2\NC(=O)/C(=C\c3cccs3)S2)cc1
InChIInChI=1S/C18H19N3OS2/c1-3-21(4-2)14-9-7-13(8-10-14)19-18-20-17(22)16(24-18)12-15-6-5-11-23-15/h5-12H,3-4H2,1-2H3,(H,19,20,22)/b16-12+
InChIKeyGVIBQFICTOSXCW-FOWTUZBSSA-N
XLogP4.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135452292
(5Z)-2-(4-ethoxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136736934
(5Z)-5-benzylidene-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135766043
(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135766048
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165869
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 137044010
5-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(diethylamino)phenyl]imino-1,3-thiazolidin-4-one
CID 135523441
2-[4-(diethylamino)phenyl]imino-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523312
methyl 4-[[(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 137166137
(5E)-2-(3-hydroxyphenyl)imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135870759
2-[4-(diethylamino)phenyl]imino-5-(2-methyl-3-phenylprop-2-enylidene)-1,3-thiazolidin-4-one
CID 135523342
2-[4-(diethylamino)phenyl]imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523257

Frequently Asked Questions

What is the IUPAC name of (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 135563100) is (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is CCN(CC)c1ccc(/N=C2\NC(=O)/C(=C\c3cccs3)S2)cc1.
What is the InChIKey of (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is GVIBQFICTOSXCW-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-3-21(4-2)14-9-7-13(8-10-14)19-18-20-17(22)16(24-18)12-15-6-5-11-23-15/h5-12H,3-4H2,1-2H3,(H,19,20,22)/b16-12+.
What are the key properties of (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 357.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-[4-(diethylamino)phenyl]imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135563100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).