N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine

C10H18N2OS — CID 136696706

IUPACN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOC1CC(/N=C2/NC(C)(C)CS2)C1
InChIInChI=1S/C10H18N2OS/c1-10(2)6-14-9(12-10)11-7-4-8(5-7)13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLLFLPFBRVEZSR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.63
Rot. Bonds2

About N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine

N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 136696706) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID136696706
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCOC1CC(/N=C2/NC(C)(C)CS2)C1
InChIInChI=1S/C10H18N2OS/c1-10(2)6-14-9(12-10)11-7-4-8(5-7)13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyXLLFLPFBRVEZSR-UHFFFAOYSA-N
XLogP1.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.63
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
N-(3-ethoxycyclobutyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847488
N-(3-ethoxycyclobutyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847492
N-(3-ethoxycyclobutyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847505
N-(3-methoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105847526
5-ethyl-N-(3-methoxycyclobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105847529
N-(3-methoxycyclobutyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105847545
N-(3-methoxycyclobutyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847549
N-(3-ethoxycyclobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105847483
N-(3-ethoxycyclobutyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847485
N-(3-ethoxycyclobutyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847488
N-(3-ethoxycyclobutyl)-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105847492

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 136696706) is N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is COC1CC(/N=C2/NC(C)(C)CS2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is XLLFLPFBRVEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2)6-14-9(12-10)11-7-4-8(5-7)13-3/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 214.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).