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

C10H16BrN3S — CID 79398685

IUPAC2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2nc(Br)cs2)C1
InChIInChI=1S/C10H16BrN3S/c11-9-7-15-10(13-9)14-5-1-2-8(6-14)3-4-12/h7-8H,1-6,12H2
InChIKeyBASQJHFIDGOWCT-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.47
Rot. Bonds3

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

2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine (PubChem CID 79398685) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
PubChem CID79398685
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2nc(Br)cs2)C1
InChIInChI=1S/C10H16BrN3S/c11-9-7-15-10(13-9)14-5-1-2-8(6-14)3-4-12/h7-8H,1-6,12H2
InChIKeyBASQJHFIDGOWCT-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45787528
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CID 145004465
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CID 173894324
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CID 45787540
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine (CID 79398685) is 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine is NCCC1CCCN(c2nc(Br)cs2)C1.
What is the InChIKey of 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is BASQJHFIDGOWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c11-9-7-15-10(13-9)14-5-1-2-8(6-14)3-4-12/h7-8H,1-6,12H2.
What are the key properties of 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine?
2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 290.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 79398685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).