N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine

C13H24N2O2S — CID 102929669

IUPACN-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCCNC(C)Cc1csc(CCOCCOC)n1
InChIInChI=1S/C13H24N2O2S/c1-4-14-11(2)9-12-10-18-13(15-12)5-6-17-8-7-16-3/h10-11,14H,4-9H2,1-3H3
InChIKeyWMVWLRALUNYEBT-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.89
Rot. Bonds10

About N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine

N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 102929669) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID102929669
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCCNC(C)Cc1csc(CCOCCOC)n1
InChIInChI=1S/C13H24N2O2S/c1-4-14-11(2)9-12-10-18-13(15-12)5-6-17-8-7-16-3/h10-11,14H,4-9H2,1-3H3
InChIKeyWMVWLRALUNYEBT-UHFFFAOYSA-N
XLogP1.89
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.89
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-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151298
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 102929665
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]ethanol
CID 102928798
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-2-amine
CID 102929672
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]butan-1-amine
CID 102929666
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115716293
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103151266
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (CID 102929669) is N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is CCNC(C)Cc1csc(CCOCCOC)n1.
What is the InChIKey of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is WMVWLRALUNYEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-4-14-11(2)9-12-10-18-13(15-12)5-6-17-8-7-16-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 272.41 g/mol, XLogP of 1.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 102929669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).