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

C11H20N2O2S — CID 103738822

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCOCCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S/c1-11(2,10-12-5-9-16-10)13-4-6-15-8-7-14-3/h5,9,13H,4,6-8H2,1-3H3
InChIKeyPSMDKLFFVXQYOM-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.63
Rot. Bonds8

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

N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103738822) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103738822
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCOCCOCCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S/c1-11(2,10-12-5-9-16-10)13-4-6-15-8-7-14-3/h5,9,13H,4,6-8H2,1-3H3
InChIKeyPSMDKLFFVXQYOM-UHFFFAOYSA-N
XLogP1.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.63
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-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
2-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001390
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
CID 119858712
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714667
N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 71986823
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103864793
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
CID 79007841
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103738822) is N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine is COCCOCCNC(C)(C)c1nccs1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is PSMDKLFFVXQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-11(2,10-12-5-9-16-10)13-4-6-15-8-7-14-3/h5,9,13H,4,6-8H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103738822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).