1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine

C11H18BrN3S — CID 79398794

IUPAC1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14(2)7-9-3-5-15(6-4-9)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyZYCYBCDTMYIGBR-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 79398794) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID79398794
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C11H18BrN3S/c1-14(2)7-9-3-5-15(6-4-9)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3
InChIKeyZYCYBCDTMYIGBR-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 79398794) is 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is ZYCYBCDTMYIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-14(2)7-9-3-5-15(6-4-9)11-13-10(12)8-16-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 304.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 79398794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).