N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

C11H16N4S — CID 63830781

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCCn1ccnc1CNCCc1cscn1
InChIInChI=1S/C11H16N4S/c1-2-15-6-5-13-11(15)7-12-4-3-10-8-16-9-14-10/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyYIWAOUHONGELNF-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.69
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63830781) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63830781
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCCn1ccnc1CNCCc1cscn1
InChIInChI=1S/C11H16N4S/c1-2-15-6-5-13-11(15)7-12-4-3-10-8-16-9-14-10/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyYIWAOUHONGELNF-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912
N-[(1-ethylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546572
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 63006064
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 114555787
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63830781) is N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is CCn1ccnc1CNCCc1cscn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is YIWAOUHONGELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-15-6-5-13-11(15)7-12-4-3-10-8-16-9-14-10/h5-6,8-9,12H,2-4,7H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63830781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).