2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

C11H12N2OS — CID 135415560

IUPAC2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)CS2)c(C)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-4-9(8(2)5-7)12-11-13-10(14)6-15-11/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeyLHBYTRMOVMPLOT-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.15
Rot. Bonds1

About 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one

2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135415560) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135415560
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)CS2)c(C)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-4-9(8(2)5-7)12-11-13-10(14)6-15-11/h3-5H,6H2,1-2H3,(H,12,13,14)
InChIKeyLHBYTRMOVMPLOT-UHFFFAOYSA-N
XLogP2.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Phenylamino)-4,5-dihydro-1,3-thiazol-4-one
CID 135406265
2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
5-Methyl-5-(propan-2-yl)-2-{[2-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1,3-thiazol-4-one
CID 135678109
N-(2,4-Dimethylphenyl)-4,5-dihydro-2-thiazolamine
CID 99296
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
(Z)-4-(p-tolylimino)thiazolidin-2-one
CID 135399106
2-(3,5-Dimethyl-phenylimino)-thiazolidin-4-one
CID 135459529
2-(3,4-Dimethylanilino)-1,3-thiazol-4-one
CID 135468636
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 135415560) is 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)CS2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is LHBYTRMOVMPLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-4-9(8(2)5-7)12-11-13-10(14)6-15-11/h3-5H,6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135415560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).