1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

C14H26N4OS — CID 81469102

IUPAC1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOCCNCc1cnc(N2CC(C)C(N(C)C)C2)s1
InChIInChI=1S/C14H26N4OS/c1-11-9-18(10-13(11)17(2)3)14-16-8-12(20-14)7-15-5-6-19-4/h8,11,13,15H,5-7,9-10H2,1-4H3
InChIKeyLKCUDLZOALETHT-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.27
Rot. Bonds7

About 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81469102) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81469102
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCOCCNCc1cnc(N2CC(C)C(N(C)C)C2)s1
InChIInChI=1S/C14H26N4OS/c1-11-9-18(10-13(11)17(2)3)14-16-8-12(20-14)7-15-5-6-19-4/h8,11,13,15H,5-7,9-10H2,1-4H3
InChIKeyLKCUDLZOALETHT-UHFFFAOYSA-N
XLogP1.27
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.27
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

N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 81470274
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55160312
N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62754485
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 79936936
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 64579666
1-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79184250
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 107510640
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750089

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81469102) is 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is COCCNCc1cnc(N2CC(C)C(N(C)C)C2)s1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is LKCUDLZOALETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-11-9-18(10-13(11)17(2)3)14-16-8-12(20-14)7-15-5-6-19-4/h8,11,13,15H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 298.46 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81469102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).