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

C8H14N2S — CID 135934547

IUPACN-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CC2CC2)N1
InChIInChI=1S/C8H14N2S/c1-6-5-11-8(10-6)9-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyNCUAHNMBXRFKFQ-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.48
Rot. Bonds2

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

N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 135934547) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine
PubChem CID135934547
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CC2CC2)N1
InChIInChI=1S/C8H14N2S/c1-6-5-11-8(10-6)9-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyNCUAHNMBXRFKFQ-UHFFFAOYSA-N
XLogP1.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.48
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 N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine (CID 135934547) is N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine is CC1CS/C(=N\CC2CC2)N1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is NCUAHNMBXRFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-5-11-8(10-6)9-4-7-2-3-7/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine?
N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 170.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).