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

C9H14BrN3S — CID 79400151

IUPAC[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H14BrN3S/c10-8-6-14-9(12-8)13-3-1-7(5-11)2-4-13/h6-7H,1-5,11H2
InChIKeySSAKMVPOPMQVPE-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.08
Rot. Bonds2

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

[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine (PubChem CID 79400151) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
PubChem CID79400151
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C9H14BrN3S/c10-8-6-14-9(12-8)13-3-1-7(5-11)2-4-13/h6-7H,1-5,11H2
InChIKeySSAKMVPOPMQVPE-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
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)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine (CID 79400151) is [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine is NCC1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine?
The InChIKey is SSAKMVPOPMQVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c10-8-6-14-9(12-8)13-3-1-7(5-11)2-4-13/h6-7H,1-5,11H2.
What are the key properties of [1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine?
[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]methanamine has a molecular weight of 276.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 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)piperidin-4-yl]methanamine is sourced from PubChem (CID 79400151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).