N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

C13H26N2OS — CID 136952014

IUPACN-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)COCC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C13H26N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyFTLBRGQWLUCGGE-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.77
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 136952014) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID136952014
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)COCC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C13H26N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyFTLBRGQWLUCGGE-UHFFFAOYSA-N
XLogP2.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 136952014) is N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is CC(C)COCC/N=C1/NC(CC(C)C)CS1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is FTLBRGQWLUCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11(3)4/h10-12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 258.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136952014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).