4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine

C11H20N2OS — CID 136690646

IUPAC4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CCC2CCCCO2)N1
InChIInChI=1S/C11H20N2OS/c1-9-8-15-11(13-9)12-6-5-10-4-2-3-7-14-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyDKBDMAQIOVRUOI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine

4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 136690646) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID136690646
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CCC2CCCCO2)N1
InChIInChI=1S/C11H20N2OS/c1-9-8-15-11(13-9)12-6-5-10-4-2-3-7-14-10/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyDKBDMAQIOVRUOI-UHFFFAOYSA-N
XLogP2.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136989165
N-(oxolan-2-ylmethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746915
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934589
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65162323
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018747
2-(3-chloropropyl)oxane
CID 23511686
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934644
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 79957673

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine (CID 136690646) is 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine is CC1CS/C(=N\CCC2CCCCO2)N1.
What is the InChIKey of 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is DKBDMAQIOVRUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9-8-15-11(13-9)12-6-5-10-4-2-3-7-14-10/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine?
4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 228.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136690646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).