2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine

C11H18ClN3S — CID 107124504

IUPAC2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2ncc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3S/c12-10-7-14-11(16-10)8-15-5-2-9(1-4-13)3-6-15/h7,9H,1-6,8,13H2
InChIKeyHTGKQSRJDOZDBT-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine

2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 107124504) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID107124504
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
SMILESNCCC1CCN(Cc2ncc(Cl)s2)CC1
InChIInChI=1S/C11H18ClN3S/c12-10-7-14-11(16-10)8-15-5-2-9(1-4-13)3-6-15/h7,9H,1-6,8,13H2
InChIKeyHTGKQSRJDOZDBT-UHFFFAOYSA-N
XLogP2.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine (CID 107124504) is 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine is NCCC1CCN(Cc2ncc(Cl)s2)CC1.
What is the InChIKey of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is HTGKQSRJDOZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c12-10-7-14-11(16-10)8-15-5-2-9(1-4-13)3-6-15/h7,9H,1-6,8,13H2.
What are the key properties of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 259.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 107124504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).