N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine

C11H20N2OS — CID 116715655

IUPACN-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccs1)C(CC)OC
InChIInChI=1S/C11H20N2OS/c1-4-10(14-3)9(12-5-2)8-11-13-6-7-15-11/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyRBOIKMHYQWNCRI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.09
Rot. Bonds7

About N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine

N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 116715655) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID116715655
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCNC(Cc1nccs1)C(CC)OC
InChIInChI=1S/C11H20N2OS/c1-4-10(14-3)9(12-5-2)8-11-13-6-7-15-11/h6-7,9-10,12H,4-5,8H2,1-3H3
InChIKeyRBOIKMHYQWNCRI-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Analyze N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 116717963
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715056
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715677
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
CID 116715785
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015053
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-ethyl-3-methoxy-1-(4-methylphenyl)pentan-2-amine
CID 116715729
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 116715655) is N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine is CCNC(Cc1nccs1)C(CC)OC.
What is the InChIKey of N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is RBOIKMHYQWNCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-10(14-3)9(12-5-2)8-11-13-6-7-15-11/h6-7,9-10,12H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine?
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116715655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).