4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine

C16H20N4S — CID 136908710

IUPAC4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCc1c(C/N=C2/NC(Cc3ccccc3)CS2)cnn1C
InChIInChI=1S/C16H20N4S/c1-12-14(10-18-20(12)2)9-17-16-19-15(11-21-16)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,17,19)
InChIKeyYCAHAJIZGBTOQE-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.53
Rot. Bonds4

About 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine

4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136908710) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136908710
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCc1c(C/N=C2/NC(Cc3ccccc3)CS2)cnn1C
InChIInChI=1S/C16H20N4S/c1-12-14(10-18-20(12)2)9-17-16-19-15(11-21-16)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,17,19)
InChIKeyYCAHAJIZGBTOQE-UHFFFAOYSA-N
XLogP2.53
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.53
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-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine (CID 136908710) is 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine is Cc1c(C/N=C2/NC(Cc3ccccc3)CS2)cnn1C.
What is the InChIKey of 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is YCAHAJIZGBTOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-12-14(10-18-20(12)2)9-17-16-19-15(11-21-16)8-13-6-4-3-5-7-13/h3-7,10,15H,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine?
4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 300.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136908710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).