N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine

C11H12F2N2OS — CID 2496492

IUPACN-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2N2OS/c1-15-6-7-17-11(15)14-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3/b14-11-
InChIKeyBQNOQIZKEFYKCR-KAMYIIQDSA-N
MW258.29 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine

N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 2496492) has the molecular formula C11H12F2N2OS and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine
PubChem CID2496492
Molecular FormulaC11H12F2N2OS
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2N2OS/c1-15-6-7-17-11(15)14-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3/b14-11-
InChIKeyBQNOQIZKEFYKCR-KAMYIIQDSA-N
XLogP2.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine (CID 2496492) is N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine is CN1CCS/C1=N\c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is BQNOQIZKEFYKCR-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H12F2N2OS/c1-15-6-7-17-11(15)14-8-2-4-9(5-3-8)16-10(12)13/h2-5,10H,6-7H2,1H3/b14-11-.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine?
N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 258.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 2496492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).