3-cyclohexyl-1,3-thiazolidin-2-imine

C9H16N2S — CID 167458153

IUPAC3-cyclohexyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1C1CCCCC1
InChIInChI=1S/C9H16N2S/c10-9-11(6-7-12-9)8-4-2-1-3-5-8/h8,10H,1-7H2/b10-9-
InChIKeyIGRCMUJNPPXHSQ-KTKRTIGZSA-N
MW184.31 g/mol
LogP2.30
Rot. Bonds1

About 3-cyclohexyl-1,3-thiazolidin-2-imine

3-cyclohexyl-1,3-thiazolidin-2-imine (PubChem CID 167458153) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-cyclohexyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-1,3-thiazolidin-2-imine
PubChem CID167458153
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-cyclohexyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1C1CCCCC1
InChIInChI=1S/C9H16N2S/c10-9-11(6-7-12-9)8-4-2-1-3-5-8/h8,10H,1-7H2/b10-9-
InChIKeyIGRCMUJNPPXHSQ-KTKRTIGZSA-N
XLogP2.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.30
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 3-cyclohexyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-cyclohexyl-1,3-thiazolidin-2-imine (CID 167458153) is 3-cyclohexyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-cyclohexyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-cyclohexyl-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,3-thiazolidin-2-imine?
The InChIKey is IGRCMUJNPPXHSQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2S/c10-9-11(6-7-12-9)8-4-2-1-3-5-8/h8,10H,1-7H2/b10-9-.
What are the key properties of 3-cyclohexyl-1,3-thiazolidin-2-imine?
3-cyclohexyl-1,3-thiazolidin-2-imine has a molecular weight of 184.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 167458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).