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

C13H20N4OS — CID 106571929

IUPACN-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCc1nccs1
InChIInChI=1S/C13H20N4OS/c1-11-10-17(7-4-12-14-6-9-19-12)13(16-11)15-5-3-8-18-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyNHBUKPFLOIXDGY-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.34
Rot. Bonds8

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

N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106571929) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106571929
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1CCc1nccs1
InChIInChI=1S/C13H20N4OS/c1-11-10-17(7-4-12-14-6-9-19-12)13(16-11)15-5-3-8-18-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16)
InChIKeyNHBUKPFLOIXDGY-UHFFFAOYSA-N
XLogP2.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.34
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

N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565695
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
N-(2-methoxyethyl)-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582991
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(3-methoxypropyl)-4-methyl-1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570090
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106571929) is N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is COCCCNc1nc(C)cn1CCc1nccs1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is NHBUKPFLOIXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-11-10-17(7-4-12-14-6-9-19-12)13(16-11)15-5-3-8-18-2/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106571929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).