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

C11H18ClN3OS — CID 112622518

IUPAC[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2cnc(Cl)s2)C(CN)C1
InChIInChI=1S/C11H18ClN3OS/c1-16-9-2-3-15(8(4-9)5-13)7-10-6-14-11(12)17-10/h6,8-9H,2-5,7,13H2,1H3
InChIKeyGXLSYKRALPHTFY-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.73
Rot. Bonds4

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

[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622518) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622518
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(Cc2cnc(Cl)s2)C(CN)C1
InChIInChI=1S/C11H18ClN3OS/c1-16-9-2-3-15(8(4-9)5-13)7-10-6-14-11(12)17-10/h6,8-9H,2-5,7,13H2,1H3
InChIKeyGXLSYKRALPHTFY-UHFFFAOYSA-N
XLogP1.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
[4-methoxy-1-[(4-trimethylsilylphenyl)methyl]piperidin-2-yl]methanamine
CID 103438223
[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963568
[1-[(3-chloro-4-pyridinyl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622776
[4-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 112622487
[1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120843737
[1-[(5-bromothiophen-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 112622693
[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
CID 129393612
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
[4-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115963754
[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 112622641
[4-methoxy-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 115963664

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (CID 112622518) is [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(Cc2cnc(Cl)s2)C(CN)C1.
What is the InChIKey of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is GXLSYKRALPHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-16-9-2-3-15(8(4-9)5-13)7-10-6-14-11(12)17-10/h6,8-9H,2-5,7,13H2,1H3.
What are the key properties of [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 275.81 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).