1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine

C14H22N4OS — CID 106572621

IUPAC1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCCc1cscn1
InChIInChI=1S/C14H22N4OS/c1-3-19-8-4-7-18-9-12(2)17-14(18)15-6-5-13-10-20-11-16-13/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyLSCWWOWKQXYIKV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.73
Rot. Bonds9

About 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (PubChem CID 106572621) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
PubChem CID106572621
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCCc1cscn1
InChIInChI=1S/C14H22N4OS/c1-3-19-8-4-7-18-9-12(2)17-14(18)15-6-5-13-10-20-11-16-13/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyLSCWWOWKQXYIKV-UHFFFAOYSA-N
XLogP2.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (CID 106572621) is 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is CCOCCCn1cc(C)nc1NCCc1cscn1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The InChIKey is LSCWWOWKQXYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-19-8-4-7-18-9-12(2)17-14(18)15-6-5-13-10-20-11-16-13/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106572621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).