N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine

C14H24N2S — CID 136870697

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(C3CC3)CC2)N1
InChIInChI=1S/C14H24N2S/c1-3-14(4-2)10-17-12(16-14)15-9-13(7-8-13)11-5-6-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyJQLAAOMUONKNBK-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.43
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine

N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 136870697) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID136870697
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(C3CC3)CC2)N1
InChIInChI=1S/C14H24N2S/c1-3-14(4-2)10-17-12(16-14)15-9-13(7-8-13)11-5-6-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyJQLAAOMUONKNBK-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.43
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-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine (CID 136870697) is N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CC2(C3CC3)CC2)N1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is JQLAAOMUONKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-14(4-2)10-17-12(16-14)15-9-13(7-8-13)11-5-6-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine?
N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 252.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136870697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).