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

C13H24N4OS — CID 55160312

IUPAC1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCNCc1cnc(N2CCC(N(C)C)C2)s1
InChIInChI=1S/C13H24N4OS/c1-16(2)11-4-6-17(10-11)13-15-9-12(19-13)8-14-5-7-18-3/h9,11,14H,4-8,10H2,1-3H3
InChIKeyZYVGMZPAYIXXTR-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.02
Rot. Bonds7

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

1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 55160312) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID55160312
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCNCc1cnc(N2CCC(N(C)C)C2)s1
InChIInChI=1S/C13H24N4OS/c1-16(2)11-4-6-17(10-11)13-15-9-12(19-13)8-14-5-7-18-3/h9,11,14H,4-8,10H2,1-3H3
InChIKeyZYVGMZPAYIXXTR-UHFFFAOYSA-N
XLogP1.02
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 55160312) is 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine is COCCNCc1cnc(N2CCC(N(C)C)C2)s1.
What is the InChIKey of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZYVGMZPAYIXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-16(2)11-4-6-17(10-11)13-15-9-12(19-13)8-14-5-7-18-3/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 284.43 g/mol, XLogP of 1.02, 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-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 55160312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).