N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

C12H20N4OS — CID 137010918

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\Cc2cn(C)nc2C)N1
InChIInChI=1S/C12H20N4OS/c1-9-10(7-16(2)15-9)6-13-12-14-11(8-18-12)4-5-17-3/h7,11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyOKZLHXMZTRWABL-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.33
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (PubChem CID 137010918) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
PubChem CID137010918
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\Cc2cn(C)nc2C)N1
InChIInChI=1S/C12H20N4OS/c1-9-10(7-16(2)15-9)6-13-12-14-11(8-18-12)4-5-17-3/h7,11H,4-6,8H2,1-3H3,(H,13,14)
InChIKeyOKZLHXMZTRWABL-UHFFFAOYSA-N
XLogP1.33
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (CID 137010918) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\Cc2cn(C)nc2C)N1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The InChIKey is OKZLHXMZTRWABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-10(7-16(2)15-9)6-13-12-14-11(8-18-12)4-5-17-3/h7,11H,4-6,8H2,1-3H3,(H,13,14).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine has a molecular weight of 268.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).