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

C10H12N2S — CID 4104812

IUPAC3-methyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12-7-8-13-10(12)11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/b11-10-
InChIKeyGACCHRZLNADJNW-KHPPLWFESA-N
MW192.29 g/mol
LogP2.35
Rot. Bonds1

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

3-methyl-N-phenyl-1,3-thiazolidin-2-imine (PubChem CID 4104812) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-methyl-N-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-N-phenyl-1,3-thiazolidin-2-imine
PubChem CID4104812
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-methyl-N-phenyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1ccccc1
InChIInChI=1S/C10H12N2S/c1-12-7-8-13-10(12)11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/b11-10-
InChIKeyGACCHRZLNADJNW-KHPPLWFESA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.35
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-N-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-methyl-N-phenyl-1,3-thiazolidin-2-imine (CID 4104812) is 3-methyl-N-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-methyl-N-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-methyl-N-phenyl-1,3-thiazolidin-2-imine is CN1CCS/C1=N\c1ccccc1.
What is the InChIKey of 3-methyl-N-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is GACCHRZLNADJNW-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2S/c1-12-7-8-13-10(12)11-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/b11-10-.
What are the key properties of 3-methyl-N-phenyl-1,3-thiazolidin-2-imine?
3-methyl-N-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 192.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4104812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).