4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine

C10H14N4S — CID 136703330

IUPAC4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\Cc2cccnn2)N1
InChIInChI=1S/C10H14N4S/c1-10(2)7-15-9(13-10)11-6-8-4-3-5-12-14-8/h3-5H,6-7H2,1-2H3,(H,11,13)
InChIKeyQHEKLVKUJYGQJQ-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.45
Rot. Bonds2

About 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 136703330) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID136703330
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\Cc2cccnn2)N1
InChIInChI=1S/C10H14N4S/c1-10(2)7-15-9(13-10)11-6-8-4-3-5-12-14-8/h3-5H,6-7H2,1-2H3,(H,11,13)
InChIKeyQHEKLVKUJYGQJQ-UHFFFAOYSA-N
XLogP1.45
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine (CID 136703330) is 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\Cc2cccnn2)N1.
What is the InChIKey of 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is QHEKLVKUJYGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-10(2)7-15-9(13-10)11-6-8-4-3-5-12-14-8/h3-5H,6-7H2,1-2H3,(H,11,13).
What are the key properties of 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 222.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136703330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).