N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

C14H20N2OS — CID 136871727

IUPACN-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCOc2ccccc2)N1
InChIInChI=1S/C14H20N2OS/c1-11(2)13-10-18-14(16-13)15-8-9-17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)
InChIKeyCVSFDJKNJAKOJX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.78
Rot. Bonds5

About N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871727) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871727
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\CCOc2ccccc2)N1
InChIInChI=1S/C14H20N2OS/c1-11(2)13-10-18-14(16-13)15-8-9-17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)
InChIKeyCVSFDJKNJAKOJX-UHFFFAOYSA-N
XLogP2.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.78
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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Related Compounds

N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871766
N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871794
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
bis(2-phenoxyethyl) bis[1-(4-propan-2-ylcyclohexyl)ethyl] silicate
CID 53327852
1-(2-phenoxyethyl)-3-propan-2-yl-1,4-diazepane
CID 64856673
2-nitrosoethoxybenzene
CID 23511453
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-cyclopropyl-2-(2-phenoxyethyl)-3-(1-phenylethyl)guanidine
CID 75532600
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871727) is N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\CCOc2ccccc2)N1.
What is the InChIKey of N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is CVSFDJKNJAKOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(2)13-10-18-14(16-13)15-8-9-17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 264.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).