4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C11H19N3OS — CID 106587020

IUPAC4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCC1CCCN(Cc2csc(N)n2)C1
InChIInChI=1S/C11H19N3OS/c1-15-7-9-3-2-4-14(5-9)6-10-8-16-11(12)13-10/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyJBXHUXUNYHQQPZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.58
Rot. Bonds4

About 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 106587020) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID106587020
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOCC1CCCN(Cc2csc(N)n2)C1
InChIInChI=1S/C11H19N3OS/c1-15-7-9-3-2-4-14(5-9)6-10-8-16-11(12)13-10/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyJBXHUXUNYHQQPZ-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106589398
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
4-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484861
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 64598386
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
(2R)-N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 164637008
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 106587020) is 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is COCC1CCCN(Cc2csc(N)n2)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is JBXHUXUNYHQQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-7-9-3-2-4-14(5-9)6-10-8-16-11(12)13-10/h8-9H,2-7H2,1H3,(H2,12,13).
What are the key properties of 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106587020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).