N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine

C12H24N2OS — CID 135977282

IUPACN-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCOCC(C)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C12H24N2OS/c1-5-12(6-2)9-16-11(14-12)13-10(4)8-15-7-3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyIGHALCMZJDOAKT-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.66
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine

N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine (PubChem CID 135977282) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine
PubChem CID135977282
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine
SMILESCCOCC(C)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C12H24N2OS/c1-5-12(6-2)9-16-11(14-12)13-10(4)8-15-7-3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyIGHALCMZJDOAKT-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine (CID 135977282) is N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine is CCOCC(C)/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine?
The InChIKey is IGHALCMZJDOAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-5-12(6-2)9-16-11(14-12)13-10(4)8-15-7-3/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine?
N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine has a molecular weight of 244.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4,4-diethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135977282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).