N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine

C13H24N2O2S — CID 79547946

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1nc(C)sc1C)OCC
InChIInChI=1S/C13H24N2O2S/c1-6-16-12(17-7-2)8-14-9(3)13-10(4)18-11(5)15-13/h9,12,14H,6-8H2,1-5H3
InChIKeyBRRFZHHSTMQEFA-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.81
Rot. Bonds8

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine (PubChem CID 79547946) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
PubChem CID79547946
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
SMILESCCOC(CNC(C)c1nc(C)sc1C)OCC
InChIInChI=1S/C13H24N2O2S/c1-6-16-12(17-7-2)8-14-9(3)13-10(4)18-11(5)15-13/h9,12,14H,6-8H2,1-5H3
InChIKeyBRRFZHHSTMQEFA-UHFFFAOYSA-N
XLogP2.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine (CID 79547946) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine is CCOC(CNC(C)c1nc(C)sc1C)OCC.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine?
The InChIKey is BRRFZHHSTMQEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-6-16-12(17-7-2)8-14-9(3)13-10(4)18-11(5)15-13/h9,12,14H,6-8H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine has a molecular weight of 272.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 79547946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).