1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine

C11H20N2OS — CID 116727809

IUPAC1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOC(CC)c1nc(C(C)NC)cs1
InChIInChI=1S/C11H20N2OS/c1-5-10(14-6-2)11-13-9(7-15-11)8(3)12-4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBHVVHRYDKZWNEK-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.91
Rot. Bonds6

About 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116727809) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116727809
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOC(CC)c1nc(C(C)NC)cs1
InChIInChI=1S/C11H20N2OS/c1-5-10(14-6-2)11-13-9(7-15-11)8(3)12-4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBHVVHRYDKZWNEK-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
CID 116734676
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727806
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
N-[1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116727826
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64545111
4-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 64543676
1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
3-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485545
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116727809) is 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine is CCOC(CC)c1nc(C(C)NC)cs1.
What is the InChIKey of 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is BHVVHRYDKZWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-10(14-6-2)11-13-9(7-15-11)8(3)12-4/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116727809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).