N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine

C13H26N2OS — CID 136824063

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine
SMILESCCOCC(/N=C1/NC(C)(CC)CS1)C(C)C
InChIInChI=1S/C13H26N2OS/c1-6-13(5)9-17-12(15-13)14-11(10(3)4)8-16-7-2/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyAVHVTTSDAZFQRF-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.91
Rot. Bonds6

About N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine

N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136824063) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136824063
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine
SMILESCCOCC(/N=C1/NC(C)(CC)CS1)C(C)C
InChIInChI=1S/C13H26N2OS/c1-6-13(5)9-17-12(15-13)14-11(10(3)4)8-16-7-2/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyAVHVTTSDAZFQRF-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.91
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-(3-ethoxypropyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135403448
4,4-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998325
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136267094
(4S)-4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136294800
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazolidin-2-imine
CID 136896895
N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 136896902
N-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136896904
4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136938522
N-[2-(2,2-difluoroethoxy)ethyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136999754
(4S)-N-tert-butyl-4-(methoxymethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 141573004
N-(1-methoxy-3-methylbutan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65048406
N-(1-methoxy-3-methylbutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65048457

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine (CID 136824063) is N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine is CCOCC(/N=C1/NC(C)(CC)CS1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is AVHVTTSDAZFQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-6-13(5)9-17-12(15-13)14-11(10(3)4)8-16-7-2/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine?
N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 258.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-4-ethyl-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136824063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).