N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine

C10H14N4S — CID 115878869

IUPACN-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCn1ccnc1)c1cscn1
InChIInChI=1S/C10H14N4S/c1-9(10-6-15-8-13-10)12-3-5-14-4-2-11-7-14/h2,4,6-9,12H,3,5H2,1H3
InChIKeyNKOGPKNINSCCFW-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.69
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine

N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 115878869) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID115878869
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCn1ccnc1)c1cscn1
InChIInChI=1S/C10H14N4S/c1-9(10-6-15-8-13-10)12-3-5-14-4-2-11-7-14/h2,4,6-9,12H,3,5H2,1H3
InChIKeyNKOGPKNINSCCFW-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 83117213
N-[2-(4-methylpyrazol-1-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879479
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
1-(1,3-thiazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115879082
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine (CID 115878869) is N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine is CC(NCCn1ccnc1)c1cscn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is NKOGPKNINSCCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-9(10-6-15-8-13-10)12-3-5-14-4-2-11-7-14/h2,4,6-9,12H,3,5H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine?
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 115878869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).