N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C10H14N4S — CID 115716558

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCc1nccn1C)c1cncs1
InChIInChI=1S/C10H14N4S/c1-8(9-5-11-7-15-9)13-6-10-12-3-4-14(10)2/h3-5,7-8,13H,6H2,1-2H3
InChIKeyHLLDSLGZIIGMQT-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.73
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 115716558) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID115716558
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCc1nccn1C)c1cncs1
InChIInChI=1S/C10H14N4S/c1-8(9-5-11-7-15-9)13-6-10-12-3-4-14(10)2/h3-5,7-8,13H,6H2,1-2H3
InChIKeyHLLDSLGZIIGMQT-UHFFFAOYSA-N
XLogP1.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
1-(1,3-thiazol-5-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706728
3-[(1-methylimidazol-2-yl)methylamino]butanenitrile
CID 63296004
(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
N-[(1-methylimidazol-2-yl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 63001655
(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
1-(3-chlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 56828209
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63291941

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 115716558) is N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is CC(NCc1nccn1C)c1cncs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is HLLDSLGZIIGMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(9-5-11-7-15-9)13-6-10-12-3-4-14(10)2/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115716558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).