N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine

C12H18N4OS — CID 106565695

IUPACN-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1Cc1nccs1
InChIInChI=1S/C12H18N4OS/c1-10-8-16(9-11-13-5-7-18-11)12(15-10)14-4-3-6-17-2/h5,7-8H,3-4,6,9H2,1-2H3,(H,14,15)
InChIKeyKUXCFNHPRKEKCG-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.14
Rot. Bonds7

About N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine

N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine (PubChem CID 106565695) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
PubChem CID106565695
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1Cc1nccs1
InChIInChI=1S/C12H18N4OS/c1-10-8-16(9-11-13-5-7-18-11)12(15-10)14-4-3-6-17-2/h5,7-8H,3-4,6,9H2,1-2H3,(H,14,15)
InChIKeyKUXCFNHPRKEKCG-UHFFFAOYSA-N
XLogP2.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
N-(3-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571929
N-(3-methoxypropyl)-4-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567823
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
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
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
1-[(3-ethyl-2-pyridinyl)methyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106578970
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine (CID 106565695) is N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine is COCCCNc1nc(C)cn1Cc1nccs1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The InChIKey is KUXCFNHPRKEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-8-16(9-11-13-5-7-18-11)12(15-10)14-4-3-6-17-2/h5,7-8H,3-4,6,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 2.14, 7 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-(1,3-thiazol-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106565695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).