1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine

C11H18ClN3S — CID 115305120

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3S/c1-11(13-2)3-5-15(6-4-11)8-9-7-14-10(12)16-9/h7,13H,3-6,8H2,1-2H3
InChIKeyFFPZVJXLYMWLIV-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.37
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115305120) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115305120
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3S/c1-11(13-2)3-5-15(6-4-11)8-9-7-14-10(12)16-9/h7,13H,3-6,8H2,1-2H3
InChIKeyFFPZVJXLYMWLIV-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115305120) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is FFPZVJXLYMWLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-11(13-2)3-5-15(6-4-11)8-9-7-14-10(12)16-9/h7,13H,3-6,8H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 259.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).