N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C9H16N2OS — CID 46785241

IUPACN-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1ncc(C)s1
InChIInChI=1S/C9H16N2OS/c1-7-6-11-9(13-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3
InChIKeyLTNMJZHMRZFSQH-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.75
Rot. Bonds5

About N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 46785241) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID46785241
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1ncc(C)s1
InChIInChI=1S/C9H16N2OS/c1-7-6-11-9(13-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3
InChIKeyLTNMJZHMRZFSQH-UHFFFAOYSA-N
XLogP1.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 91636055
2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
CID 115920919
N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 168898781
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65804056
1-[5-(Fluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 84764241
1-[5-(fluoromethyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 84766692
1,1-difluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 102869993
2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103081140
2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103081221

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 46785241) is N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is COCCNC(C)c1ncc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is LTNMJZHMRZFSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-6-11-9(13-7)8(2)10-4-5-12-3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 200.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 46785241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).