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

C11H18N4OS — CID 137010916

IUPAC4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\Cc2ccn(C)n2)N1
InChIInChI=1S/C11H18N4OS/c1-15-5-3-9(14-15)7-12-11-13-10(8-17-11)4-6-16-2/h3,5,10H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyHDDHBQGTLGESRI-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.02
Rot. Bonds5

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

4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 137010916) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID137010916
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\Cc2ccn(C)n2)N1
InChIInChI=1S/C11H18N4OS/c1-15-5-3-9(14-15)7-12-11-13-10(8-17-11)4-6-16-2/h3,5,10H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyHDDHBQGTLGESRI-UHFFFAOYSA-N
XLogP1.02
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.02
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 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine (CID 137010916) is 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\Cc2ccn(C)n2)N1.
What is the InChIKey of 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is HDDHBQGTLGESRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-15-5-3-9(14-15)7-12-11-13-10(8-17-11)4-6-16-2/h3,5,10H,4,6-8H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 254.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).