3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine

C15H16N2S — CID 70607006

IUPAC3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine
SMILESCc1ccc(/N=C2/SCCN2C)c2ccccc12
InChIInChI=1S/C15H16N2S/c1-11-7-8-14(13-6-4-3-5-12(11)13)16-15-17(2)9-10-18-15/h3-8H,9-10H2,1-2H3/b16-15+
InChIKeyBEVPALXZHINRIJ-FOCLMDBBSA-N
MW256.37 g/mol
LogP3.81
Rot. Bonds1

About 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine

3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine (PubChem CID 70607006) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine
PubChem CID70607006
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine
SMILESCc1ccc(/N=C2/SCCN2C)c2ccccc12
InChIInChI=1S/C15H16N2S/c1-11-7-8-14(13-6-4-3-5-12(11)13)16-15-17(2)9-10-18-15/h3-8H,9-10H2,1-2H3/b16-15+
InChIKeyBEVPALXZHINRIJ-FOCLMDBBSA-N
XLogP3.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.81
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-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine (CID 70607006) is 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine is Cc1ccc(/N=C2/SCCN2C)c2ccccc12.
What is the InChIKey of 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine?
The InChIKey is BEVPALXZHINRIJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-7-8-14(13-6-4-3-5-12(11)13)16-15-17(2)9-10-18-15/h3-8H,9-10H2,1-2H3/b16-15+.
What are the key properties of 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine?
3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine has a molecular weight of 256.37 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylnaphthalen-1-yl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 70607006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).