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

C13H20N4OS — CID 106565661

IUPACN-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1Cc1nccs1
InChIInChI=1S/C13H20N4OS/c1-3-18-7-4-5-15-13-16-11(2)9-17(13)10-12-14-6-8-19-12/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,16)
InChIKeyKZQNPUKEDADQIX-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.53
Rot. Bonds8

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

N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine (PubChem CID 106565661) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
PubChem CID106565661
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1Cc1nccs1
InChIInChI=1S/C13H20N4OS/c1-3-18-7-4-5-15-13-16-11(2)9-17(13)10-12-14-6-8-19-12/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,16)
InChIKeyKZQNPUKEDADQIX-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-methoxypropyl)-4-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571929
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563088
N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
CID 106564369
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine (CID 106565661) is N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1Cc1nccs1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
The InChIKey is KZQNPUKEDADQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-18-7-4-5-15-13-16-11(2)9-17(13)10-12-14-6-8-19-12/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106565661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).