N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

C14H28N2OS — CID 137002731

IUPACN-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCCCOCCC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C14H28N2OS/c1-4-5-8-17-9-6-7-15-14-16-13(11-18-14)10-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyXGIPPBIUFZRSSL-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.30
Rot. Bonds9

About N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 137002731) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID137002731
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCCCCOCCC/N=C1/NC(CC(C)C)CS1
InChIInChI=1S/C14H28N2OS/c1-4-5-8-17-9-6-7-15-14-16-13(11-18-14)10-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyXGIPPBIUFZRSSL-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.30
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-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 137002731) is N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is CCCCOCCC/N=C1/NC(CC(C)C)CS1.
What is the InChIKey of N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is XGIPPBIUFZRSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-4-5-8-17-9-6-7-15-14-16-13(11-18-14)10-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 272.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137002731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).