N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine

C10H18N2OS — CID 136696721

IUPACN-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCOC1(C/N=C2/NC(C)CS2)CCC1
InChIInChI=1S/C10H18N2OS/c1-8-6-14-9(12-8)11-7-10(13-2)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeySSLHGVMYMZWASE-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.64
Rot. Bonds3

About N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine

N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136696721) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136696721
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCOC1(C/N=C2/NC(C)CS2)CCC1
InChIInChI=1S/C10H18N2OS/c1-8-6-14-9(12-8)11-7-10(13-2)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeySSLHGVMYMZWASE-UHFFFAOYSA-N
XLogP1.64
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.64
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

4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136933426
N-cyclopropyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934531
N-cyclooctyl-4-methyl-1,3-thiazolidin-2-imine
CID 135934589
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934644
4,6-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879365
N-[(1-ethylcyclobutyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747414
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747419
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747420
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-1,3-thiazolidin-2-imine
CID 136696675
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
N-[(1-methylsulfanylcyclobutyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993578

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine (CID 136696721) is N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine is COC1(C/N=C2/NC(C)CS2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is SSLHGVMYMZWASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-6-14-9(12-8)11-7-10(13-2)4-3-5-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 214.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136696721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).