[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

C9H15N3OS — CID 130548510

IUPAC[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C)c(CN)s2)C1
InChIInChI=1S/C9H15N3OS/c1-6-8(3-10)14-9(11-6)12-4-7(5-12)13-2/h7H,3-5,10H2,1-2H3
InChIKeyXYLJGPTVELUUTO-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.75
Rot. Bonds3

About [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 130548510) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID130548510
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCOC1CN(c2nc(C)c(CN)s2)C1
InChIInChI=1S/C9H15N3OS/c1-6-8(3-10)14-9(11-6)12-4-7(5-12)13-2/h7H,3-5,10H2,1-2H3
InChIKeyXYLJGPTVELUUTO-UHFFFAOYSA-N
XLogP0.75
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 79924759
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117839
[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540379
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
2-(3-methoxyazetidin-1-yl)-4,6-dimethylpyrimidin-5-amine
CID 121204972
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 103540244
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 130548510) is [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is COC1CN(c2nc(C)c(CN)s2)C1.
What is the InChIKey of [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XYLJGPTVELUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-8(3-10)14-9(11-6)12-4-7(5-12)13-2/h7H,3-5,10H2,1-2H3.
What are the key properties of [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyazetidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 130548510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).