1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine

C11H18ClN3S — CID 107125538

IUPAC1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1ncc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-13-6-8-4-3-5-15(2)10(8)11-14-7-9(12)16-11/h7-8,10,13H,3-6H2,1-2H3
InChIKeyIQBYSVQLKGSJMY-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.40
Rot. Bonds3

About 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine

1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 107125538) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
PubChem CID107125538
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(C)C1c1ncc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-13-6-8-4-3-5-15(2)10(8)11-14-7-9(12)16-11/h7-8,10,13H,3-6H2,1-2H3
InChIKeyIQBYSVQLKGSJMY-UHFFFAOYSA-N
XLogP2.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (CID 107125538) is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(C)C1c1ncc(Cl)s1.
What is the InChIKey of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is IQBYSVQLKGSJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-13-6-8-4-3-5-15(2)10(8)11-14-7-9(12)16-11/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 259.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 107125538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).