5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one

C12H20N4O2S2 — CID 162103895

IUPAC5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)C(C)S1.CCC1(C)S/C(=N\C)NC1=O
InChIInChI=1S/C7H12N2OS.C5H8N2OS/c1-4-7(2)5(10)9-6(8-3)11-7;1-3-4(8)7-5(6-2)9-3/h4H2,1-3H3,(H,8,9,10);3H,1-2H3,(H,6,7,8)
InChIKeyZFGCZGONDWIIGY-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.23
Rot. Bonds1

About 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one

5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 162103895) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID162103895
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/NC(=O)C(C)S1.CCC1(C)S/C(=N\C)NC1=O
InChIInChI=1S/C7H12N2OS.C5H8N2OS/c1-4-7(2)5(10)9-6(8-3)11-7;1-3-4(8)7-5(6-2)9-3/h4H2,1-3H3,(H,8,9,10);3H,1-2H3,(H,6,7,8)
InChIKeyZFGCZGONDWIIGY-UHFFFAOYSA-N
XLogP1.23
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-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

2-bromopropanoic acid;5-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 157452184
5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989146
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135941737
2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
CID 143468326
2-(4-butylphenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135523652
(2E)-5-methyl-2-(3-phenylprop-1-enylhydrazinylidene)-1,3-thiazolidin-4-one
CID 135848277
(2Z)-5-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 137221381
(2E,5R)-2-[(Z)-[4-(diethylamino)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135851405
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 135783326

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 162103895) is 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/NC(=O)C(C)S1.CCC1(C)S/C(=N\C)NC1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is ZFGCZGONDWIIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS.C5H8N2OS/c1-4-7(2)5(10)9-6(8-3)11-7;1-3-4(8)7-5(6-2)9-3/h4H2,1-3H3,(H,8,9,10);3H,1-2H3,(H,6,7,8).
What are the key properties of 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 316.45 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 162103895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).