3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine

C11H12N2S — CID 155545237

IUPAC3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine
SMILESC=C1CN(C)/C(=N/c2ccccc2)S1
InChIInChI=1S/C11H12N2S/c1-9-8-13(2)11(14-9)12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3/b12-11-
InChIKeyQLQAFLBWFCENKK-QXMHVHEDSA-N
MW204.30 g/mol
LogP2.87
Rot. Bonds1

About 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine

3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine (PubChem CID 155545237) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine
PubChem CID155545237
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine
SMILESC=C1CN(C)/C(=N/c2ccccc2)S1
InChIInChI=1S/C11H12N2S/c1-9-8-13(2)11(14-9)12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3/b12-11-
InChIKeyQLQAFLBWFCENKK-QXMHVHEDSA-N
XLogP2.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.87
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 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine (CID 155545237) is 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine is C=C1CN(C)/C(=N/c2ccccc2)S1.
What is the InChIKey of 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is QLQAFLBWFCENKK-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2S/c1-9-8-13(2)11(14-9)12-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3/b12-11-.
What are the key properties of 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine?
3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 204.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-N-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 155545237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).