N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine

C13H17ClN2OS — CID 136933962

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2c(Cl)cccc2OC)N1
InChIInChI=1S/C13H17ClN2OS/c1-3-9-8-18-13(16-9)15-7-10-11(14)5-4-6-12(10)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyDCSHIEALNKOTSR-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.32
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine

N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine (PubChem CID 136933962) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine
PubChem CID136933962
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/Cc2c(Cl)cccc2OC)N1
InChIInChI=1S/C13H17ClN2OS/c1-3-9-8-18-13(16-9)15-7-10-11(14)5-4-6-12(10)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyDCSHIEALNKOTSR-UHFFFAOYSA-N
XLogP3.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-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

N-[(2-chloro-6-methoxyphenyl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136782384
4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136817006
N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
CID 103293426
(3aR,6aR)-N-[(2,6-dichlorophenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d][1,3]thiazol-2-imine
CID 137263270
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
N'-[(2-chloro-6-methoxyphenyl)methyl]benzenecarboximidamide
CID 103293425
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
N-[(2-chloro-6-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104816053
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine (CID 136933962) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine is CCC1CS/C(=N/Cc2c(Cl)cccc2OC)N1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine?
The InChIKey is DCSHIEALNKOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-3-9-8-18-13(16-9)15-7-10-11(14)5-4-6-12(10)17-2/h4-6,9H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine has a molecular weight of 284.81 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136933962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).