N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine

C10H19N3OS — CID 62458579

IUPACN,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
SMILESCNCc1nc(COCCN(C)C)cs1
InChIInChI=1S/C10H19N3OS/c1-11-6-10-12-9(8-15-10)7-14-5-4-13(2)3/h8,11H,4-7H2,1-3H3
InChIKeyCVCDHUIYZICJEE-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.94
Rot. Bonds7

About N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine

N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine (PubChem CID 62458579) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
PubChem CID62458579
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
SMILESCNCc1nc(COCCN(C)C)cs1
InChIInChI=1S/C10H19N3OS/c1-11-6-10-12-9(8-15-10)7-14-5-4-13(2)3/h8,11H,4-7H2,1-3H3
InChIKeyCVCDHUIYZICJEE-UHFFFAOYSA-N
XLogP0.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine (CID 62458579) is N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine is CNCc1nc(COCCN(C)C)cs1.
What is the InChIKey of N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine?
The InChIKey is CVCDHUIYZICJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-11-6-10-12-9(8-15-10)7-14-5-4-13(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine has a molecular weight of 229.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine is sourced from PubChem (CID 62458579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).