N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine

C10H10Cl2N2S — CID 614544

IUPACN-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2S/c1-14-5-6-15-10(14)13-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3/b13-10-
InChIKeyRWQNIZPCQXJSJU-RAXLEYEMSA-N
MW261.18 g/mol
LogP3.66
Rot. Bonds1

About N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine

N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 614544) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine
PubChem CID614544
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC NameN-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2S/c1-14-5-6-15-10(14)13-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3/b13-10-
InChIKeyRWQNIZPCQXJSJU-RAXLEYEMSA-N
XLogP3.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.66
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-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine (CID 614544) is N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine is CN1CCS/C1=N\c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is RWQNIZPCQXJSJU-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H10Cl2N2S/c1-14-5-6-15-10(14)13-9-7(11)3-2-4-8(9)12/h2-4H,5-6H2,1H3/b13-10-.
What are the key properties of N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine?
N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 261.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 614544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).