N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine

C13H25N3OS — CID 82515371

IUPACN,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(CNCCOC)cs1
InChIInChI=1S/C13H25N3OS/c1-4-16(5-2)8-6-13-15-12(11-18-13)10-14-7-9-17-3/h11,14H,4-10H2,1-3H3
InChIKeyUCGNHWLREFBJTI-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.76
Rot. Bonds10

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

N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 82515371) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID82515371
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(CNCCOC)cs1
InChIInChI=1S/C13H25N3OS/c1-4-16(5-2)8-6-13-15-12(11-18-13)10-14-7-9-17-3/h11,14H,4-10H2,1-3H3
InChIKeyUCGNHWLREFBJTI-UHFFFAOYSA-N
XLogP1.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.76
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

N-[[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61281052
N',N'-diethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 60727171
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-4-yl]methyl]-2-methoxyethanamine
CID 82516321
4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 96656461
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82965911
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 115591920
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-methoxy-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929431
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 61446641

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine (CID 82515371) is N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine is CCN(CC)CCc1nc(CNCCOC)cs1.
What is the InChIKey of N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is UCGNHWLREFBJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-4-16(5-2)8-6-13-15-12(11-18-13)10-14-7-9-17-3/h11,14H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82515371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).