N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine

C10H17N3OS — CID 106583170

IUPACN-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
SMILESCOCCNc1nccn1C1CCSC1
InChIInChI=1S/C10H17N3OS/c1-14-6-4-12-10-11-3-5-13(10)9-2-7-15-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)
InChIKeyRLKWETCHFANBSB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.62
Rot. Bonds5

About N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine

N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine (PubChem CID 106583170) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
PubChem CID106583170
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
SMILESCOCCNc1nccn1C1CCSC1
InChIInChI=1S/C10H17N3OS/c1-14-6-4-12-10-11-3-5-13(10)9-2-7-15-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)
InChIKeyRLKWETCHFANBSB-UHFFFAOYSA-N
XLogP1.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106564758
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine (CID 106583170) is N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine is COCCNc1nccn1C1CCSC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine?
The InChIKey is RLKWETCHFANBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-6-4-12-10-11-3-5-13(10)9-2-7-15-8-9/h3,5,9H,2,4,6-8H2,1H3,(H,11,12).
What are the key properties of N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine?
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).