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

C12H18N4OS — CID 66401302

IUPAC2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1csc(C)n1
InChIInChI=1S/C12H18N4OS/c1-10-15-11(9-18-10)8-16-5-3-14-12(16)7-13-4-6-17-2/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyNNBKLVRNOORPAZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.43
Rot. Bonds7

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

2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66401302) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66401302
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1csc(C)n1
InChIInChI=1S/C12H18N4OS/c1-10-15-11(9-18-10)8-16-5-3-14-12(16)7-13-4-6-17-2/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyNNBKLVRNOORPAZ-UHFFFAOYSA-N
XLogP1.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.43
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

2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402484
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
CID 66402475
2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66400715

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 66401302) is 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is COCCNCc1nccn1Cc1csc(C)n1.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is NNBKLVRNOORPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-15-11(9-18-10)8-16-5-3-14-12(16)7-13-4-6-17-2/h3,5,9,13H,4,6-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 266.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66401302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).