N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine

C12H16N2S — CID 2496495

IUPACN-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCc1cccc(/N=C2\SCCN2C)c1C
InChIInChI=1S/C12H16N2S/c1-9-5-4-6-11(10(9)2)13-12-14(3)7-8-15-12/h4-6H,7-8H2,1-3H3/b13-12-
InChIKeyCSWNMJIKBALGRJ-SEYXRHQNSA-N
MW220.34 g/mol
LogP2.97
Rot. Bonds1

About N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine

N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 2496495) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine
PubChem CID2496495
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCc1cccc(/N=C2\SCCN2C)c1C
InChIInChI=1S/C12H16N2S/c1-9-5-4-6-11(10(9)2)13-12-14(3)7-8-15-12/h4-6H,7-8H2,1-3H3/b13-12-
InChIKeyCSWNMJIKBALGRJ-SEYXRHQNSA-N
XLogP2.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine (CID 2496495) is N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine is Cc1cccc(/N=C2\SCCN2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is CSWNMJIKBALGRJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9-5-4-6-11(10(9)2)13-12-14(3)7-8-15-12/h4-6H,7-8H2,1-3H3/b13-12-.
What are the key properties of N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine?
N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 220.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 2496495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).