N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine

C11H20N2OS — CID 79825138

IUPACN-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCOCC(Cc1nccs1)NCC
InChIInChI=1S/C11H20N2OS/c1-3-6-14-9-10(12-4-2)8-11-13-5-7-15-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3
InChIKeyKNGLKVIYIWVJBT-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.09
Rot. Bonds8

About N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine

N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79825138) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79825138
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCCCOCC(Cc1nccs1)NCC
InChIInChI=1S/C11H20N2OS/c1-3-6-14-9-10(12-4-2)8-11-13-5-7-15-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3
InChIKeyKNGLKVIYIWVJBT-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-propoxy-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105324590
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
N-ethyl-4-phenoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79825125
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
1-(4-chlorophenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79823693
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 116717963
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79825138) is N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine is CCCOCC(Cc1nccs1)NCC.
What is the InChIKey of N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KNGLKVIYIWVJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-3-6-14-9-10(12-4-2)8-11-13-5-7-15-11/h5,7,10,12H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine?
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).