1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine

C11H20N2OS — CID 104585087

IUPAC1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(COC)NCC(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-4-10(8-14-3)13-7-9(2)11-12-5-6-15-11/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyHEJJJVYLBYFPQX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.26
Rot. Bonds7

About 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine

1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine (PubChem CID 104585087) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
PubChem CID104585087
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(COC)NCC(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-4-10(8-14-3)13-7-9(2)11-12-5-6-15-11/h5-6,9-10,13H,4,7-8H2,1-3H3
InChIKeyHEJJJVYLBYFPQX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-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

5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 104585067
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 124846660
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
2-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)butan-1-amine
CID 62543117
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585048
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115891943
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine (CID 104585087) is 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine is CCC(COC)NCC(C)c1nccs1.
What is the InChIKey of 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine?
The InChIKey is HEJJJVYLBYFPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-10(8-14-3)13-7-9(2)11-12-5-6-15-11/h5-6,9-10,13H,4,7-8H2,1-3H3.
What are the key properties of 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine?
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 104585087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).