N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine

C10H20N2S — CID 136628223

IUPACN-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
SMILESCC/N=C1/NC(CCC(C)C)CS1
InChIInChI=1S/C10H20N2S/c1-4-11-10-12-9(7-13-10)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyFVAPNCRERPBUAD-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine

N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine (PubChem CID 136628223) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
PubChem CID136628223
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine
SMILESCC/N=C1/NC(CCC(C)C)CS1
InChIInChI=1S/C10H20N2S/c1-4-11-10-12-9(7-13-10)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyFVAPNCRERPBUAD-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
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-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine (CID 136628223) is N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine is CC/N=C1/NC(CCC(C)C)CS1.
What is the InChIKey of N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine?
The InChIKey is FVAPNCRERPBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-4-11-10-12-9(7-13-10)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine?
N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136628223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).