N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C7H14N2OS — CID 43439563

IUPACN-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCC(C)S1
InChIInChI=1S/C7H14N2OS/c1-6-5-9-7(11-6)8-3-4-10-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyYKICAWUTQOVWBG-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.71
Rot. Bonds3

About N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439563) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439563
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCCNC1=NCC(C)S1
InChIInChI=1S/C7H14N2OS/c1-6-5-9-7(11-6)8-3-4-10-2/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyYKICAWUTQOVWBG-UHFFFAOYSA-N
XLogP0.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439563) is N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is COCCNC1=NCC(C)S1.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YKICAWUTQOVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-6-5-9-7(11-6)8-3-4-10-2/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 174.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).