N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

C10H18F2N2O2S — CID 137010943

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2O2S/c1-15-4-2-8-7-17-10(14-8)13-3-5-16-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVKUZUFWNEBEXGY-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.37
Rot. Bonds8

About N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (PubChem CID 137010943) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
PubChem CID137010943
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2O2S/c1-15-4-2-8-7-17-10(14-8)13-3-5-16-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyVKUZUFWNEBEXGY-UHFFFAOYSA-N
XLogP1.37
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (CID 137010943) is N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The InChIKey is VKUZUFWNEBEXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c1-15-4-2-8-7-17-10(14-8)13-3-5-16-6-9(11)12/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine has a molecular weight of 268.33 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).