1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine

C11H20N2OS — CID 116774571

IUPAC1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC(CC)(OC)c1nc(C(C)N)cs1
InChIInChI=1S/C11H20N2OS/c1-5-11(6-2,14-4)10-13-9(7-15-10)8(3)12/h7-8H,5-6,12H2,1-4H3
InChIKeySTASLYNAQPTHAH-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 116774571) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID116774571
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC(CC)(OC)c1nc(C(C)N)cs1
InChIInChI=1S/C11H20N2OS/c1-5-11(6-2,14-4)10-13-9(7-15-10)8(3)12/h7-8H,5-6,12H2,1-4H3
InChIKeySTASLYNAQPTHAH-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
CID 116782565
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 84770829
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 84772376
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 116774484
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116775255
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
2-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 102929390
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine (CID 116774571) is 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine is CCC(CC)(OC)c1nc(C(C)N)cs1.
What is the InChIKey of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is STASLYNAQPTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-11(6-2,14-4)10-13-9(7-15-10)8(3)12/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 228.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 116774571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).