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

C11H22N2OS — CID 136871885

IUPACN-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCOC(C)C/N=C1/NC(C(C)C)CS1
InChIInChI=1S/C11H22N2OS/c1-5-14-9(4)6-12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyDBEBTWZKKHHTSE-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.13
Rot. Bonds5

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

N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871885) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871885
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCOC(C)C/N=C1/NC(C(C)C)CS1
InChIInChI=1S/C11H22N2OS/c1-5-14-9(4)6-12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyDBEBTWZKKHHTSE-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
ethyl 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]propanoate
CID 136871756
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871731
N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136666952
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
CID 136896936
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871727

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871885) is N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CCOC(C)C/N=C1/NC(C(C)C)CS1.
What is the InChIKey of N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is DBEBTWZKKHHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-14-9(4)6-12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 230.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).