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

C11H16N4S — CID 66151422

IUPACN-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(C)c1nccs1
InChIInChI=1S/C11H16N4S/c1-3-12-6-10-7-13-8-15(10)9(2)11-14-4-5-16-11/h4-5,7-9,12H,3,6H2,1-2H3
InChIKeyIGOFPOBULMANDM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.06
Rot. Bonds5

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

N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 66151422) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID66151422
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1C(C)c1nccs1
InChIInChI=1S/C11H16N4S/c1-3-12-6-10-7-13-8-15(10)9(2)11-14-4-5-16-11/h4-5,7-9,12H,3,6H2,1-2H3
InChIKeyIGOFPOBULMANDM-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151221
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574743
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66149926
N-[[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66149126
2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66146733
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151545
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine (CID 66151422) is N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1C(C)c1nccs1.
What is the InChIKey of N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is IGOFPOBULMANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-12-6-10-7-13-8-15(10)9(2)11-14-4-5-16-11/h4-5,7-9,12H,3,6H2,1-2H3.
What are the key properties of N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66151422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).