N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine

C11H20N2OS — CID 62542781

IUPACN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
SMILESCCC(CC)(NCCOC)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-4-11(5-2,13-6-8-14-3)10-12-7-9-15-10/h7,9,13H,4-6,8H2,1-3H3
InChIKeyQHLRMBHSLZTRLW-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.39
Rot. Bonds7

About N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine

N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine (PubChem CID 62542781) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
PubChem CID62542781
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
SMILESCCC(CC)(NCCOC)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-4-11(5-2,13-6-8-14-3)10-12-7-9-15-10/h7,9,13H,4-6,8H2,1-3H3
InChIKeyQHLRMBHSLZTRLW-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.39
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

N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
CID 79007841
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103738822
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953061
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712
5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine
CID 61333820
N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953260
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine (CID 62542781) is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine is CCC(CC)(NCCOC)c1nccs1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine?
The InChIKey is QHLRMBHSLZTRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-11(5-2,13-6-8-14-3)10-12-7-9-15-10/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine?
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine has a molecular weight of 228.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine is sourced from PubChem (CID 62542781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).