2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H27N3OS — CID 63627730

IUPAC2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCCC(C)CC2)nc1C
InChIInChI=1S/C15H27N3OS/c1-12-5-4-8-18(9-6-12)15-17-13(2)14(20-15)11-16-7-10-19-3/h12,16H,4-11H2,1-3H3
InChIKeyRAFDIXBLPBQCEK-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.81
Rot. Bonds6

About 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 63627730) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID63627730
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1sc(N2CCCC(C)CC2)nc1C
InChIInChI=1S/C15H27N3OS/c1-12-5-4-8-18(9-6-12)15-17-13(2)14(20-15)11-16-7-10-19-3/h12,16H,4-11H2,1-3H3
InChIKeyRAFDIXBLPBQCEK-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.81
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

2-methoxy-N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103503705
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62767419
1-[5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518702
N-methyl-1-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764135
N-[[2-(4-methylazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63627201
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[4-ethyl-2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62768502
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 63627730) is 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is COCCNCc1sc(N2CCCC(C)CC2)nc1C.
What is the InChIKey of 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is RAFDIXBLPBQCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12-5-4-8-18(9-6-12)15-17-13(2)14(20-15)11-16-7-10-19-3/h12,16H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63627730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).