4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine

C10H18N2S — CID 137000795

IUPAC4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine
SMILESCC1CCC(/N=C2/NC(C)CS2)C1
InChIInChI=1S/C10H18N2S/c1-7-3-4-9(5-7)12-10-11-8(2)6-13-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKRJASZISYIYQPI-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.26
Rot. Bonds1

About 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine

4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine (PubChem CID 137000795) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine
PubChem CID137000795
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine
SMILESCC1CCC(/N=C2/NC(C)CS2)C1
InChIInChI=1S/C10H18N2S/c1-7-3-4-9(5-7)12-10-11-8(2)6-13-10/h7-9H,3-6H2,1-2H3,(H,11,12)
InChIKeyKRJASZISYIYQPI-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine (CID 137000795) is 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine is CC1CCC(/N=C2/NC(C)CS2)C1.
What is the InChIKey of 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine?
The InChIKey is KRJASZISYIYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7-3-4-9(5-7)12-10-11-8(2)6-13-10/h7-9H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine?
4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine has a molecular weight of 198.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylcyclopentyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137000795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).