1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine

C10H16BrN3S — CID 79400008

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-13(2)8-3-5-14(6-4-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyGOJZTYOXBNIQJZ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine

1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 79400008) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID79400008
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-13(2)8-3-5-14(6-4-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyGOJZTYOXBNIQJZ-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine (CID 79400008) is 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is GOJZTYOXBNIQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-13(2)8-3-5-14(6-4-8)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 290.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 79400008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).