N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine

C7H12N2S — CID 91159580

IUPACN-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\C1CC1
InChIInChI=1S/C7H12N2S/c1-9-4-5-10-7(9)8-6-2-3-6/h6H,2-5H2,1H3/b8-7-
InChIKeyWOJRFYPPRVRIDV-FPLPWBNLSA-N
MW156.25 g/mol
LogP1.18
Rot. Bonds1

About N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine

N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 91159580) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine
PubChem CID91159580
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC NameN-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\C1CC1
InChIInChI=1S/C7H12N2S/c1-9-4-5-10-7(9)8-6-2-3-6/h6H,2-5H2,1H3/b8-7-
InChIKeyWOJRFYPPRVRIDV-FPLPWBNLSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
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 N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine (CID 91159580) is N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine is CN1CCS/C1=N\C1CC1.
What is the InChIKey of N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is WOJRFYPPRVRIDV-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H12N2S/c1-9-4-5-10-7(9)8-6-2-3-6/h6H,2-5H2,1H3/b8-7-.
What are the key properties of N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine?
N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 156.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 91159580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).