1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine

C14H22N4OS — CID 106565604

IUPAC1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cnc(C)s1
InChIInChI=1S/C14H22N4OS/c1-4-19-7-5-6-18-10-11(2)17-14(18)16-9-13-8-15-12(3)20-13/h8,10H,4-7,9H2,1-3H3,(H,16,17)
InChIKeySPWKPYRPDJXFTP-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.00
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine (PubChem CID 106565604) 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-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
PubChem CID106565604
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cnc(C)s1
InChIInChI=1S/C14H22N4OS/c1-4-19-7-5-6-18-10-11(2)17-14(18)16-9-13-8-15-12(3)20-13/h8,10H,4-7,9H2,1-3H3,(H,16,17)
InChIKeySPWKPYRPDJXFTP-UHFFFAOYSA-N
XLogP3.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.00
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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Related Compounds

1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572621
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine (CID 106565604) is 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine is CCOCCCn1cc(C)nc1NCc1cnc(C)s1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The InChIKey is SPWKPYRPDJXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-19-7-5-6-18-10-11(2)17-14(18)16-9-13-8-15-12(3)20-13/h8,10H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 3.00, 8 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-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).