1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine

C11H20N2OS — CID 103271064

IUPAC1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
SMILESCCOCC(NCc1cscn1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-4-14-6-11(9(2)3)12-5-10-7-15-8-13-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyVMCIAHMMXFUAPI-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.29
Rot. Bonds7

About 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine

1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine (PubChem CID 103271064) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
PubChem CID103271064
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
SMILESCCOCC(NCc1cscn1)C(C)C
InChIInChI=1S/C11H20N2OS/c1-4-14-6-11(9(2)3)12-5-10-7-15-8-13-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyVMCIAHMMXFUAPI-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 103271203
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
1-methoxy-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentan-3-amine
CID 115731950
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64918858

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine?
The IUPAC name of 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine (CID 103271064) is 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine?
The canonical SMILES for 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine is CCOCC(NCc1cscn1)C(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine?
The InChIKey is VMCIAHMMXFUAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-14-6-11(9(2)3)12-5-10-7-15-8-13-10/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine?
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 103271064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).