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

C11H12N2OS — CID 613215

IUPAC3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cccc(C)c1C
InChIInChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-
InChIKeyKCXPQKDQAVQMLN-QXMHVHEDSA-N
MW220.30 g/mol
LogP2.32
Rot. Bonds1

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

3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 613215) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID613215
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cccc(C)c1C
InChIInChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-
InChIKeyKCXPQKDQAVQMLN-QXMHVHEDSA-N
XLogP2.32
TPSA44.16 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 ≤ 52.32
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

S-[2-(2,3-dimethylanilino)-2-oxoethyl] carbamothioate
CID 2241158
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
3-[4-(Tert-butyl)phenyl]-2-imino-1,3-thiazolan-4-one
CID 2726585
2-Imino-3-phenyl-1,3-thiazolidin-4-one
CID 249589
1-(2,3-Dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone
CID 3000164
(Z)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one
CID 24956672
(2Z)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 341805
3-(3,4-Dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 324720
N-(3,4-dimethylphenyl)-2-carbamoylthioacetamide
CID 224674
3-m-Tolyl-2-m-tolylimino-thiazolidin-4-one
CID 1244300
N-(2,3-Dimethylphenyl)-2-[({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]acetamide
CID 20961908
(2Z)-2-[(2,3-dimethylphenyl)imino]-1,3-thiazolidin-4-one
CID 135426098

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one (CID 613215) is 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is KCXPQKDQAVQMLN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-3-5-9(8(7)2)13-10(14)6-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-.
What are the key properties of 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one?
3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 613215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).