4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine

C8H13F3N2S — CID 136952786

IUPAC4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CCCC(F)(F)F)N1
InChIInChI=1S/C8H13F3N2S/c1-6-5-14-7(13-6)12-4-2-3-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyPIZGVPSMULUEDJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine

4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine (PubChem CID 136952786) has the molecular formula C8H13F3N2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
PubChem CID136952786
Molecular FormulaC8H13F3N2S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Name4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
SMILESCC1CS/C(=N\CCCC(F)(F)F)N1
InChIInChI=1S/C8H13F3N2S/c1-6-5-14-7(13-6)12-4-2-3-8(9,10)11/h6H,2-5H2,1H3,(H,12,13)
InChIKeyPIZGVPSMULUEDJ-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
CID 136805725
N-(5,5,5-trifluoropentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747257
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934635
N-(cyclohexylmethyl)-4-methyl-1,3-thiazolidin-2-imine
CID 135934689
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 136696721
N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 135901138
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806
N-(5-methoxypentyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136857894

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine (CID 136952786) is 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine is CC1CS/C(=N\CCCC(F)(F)F)N1.
What is the InChIKey of 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine?
The InChIKey is PIZGVPSMULUEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2S/c1-6-5-14-7(13-6)12-4-2-3-8(9,10)11/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine?
4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine has a molecular weight of 226.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136952786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).