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

C10H17N3S — CID 22065065

IUPAC2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N3S/c11-4-1-9-2-6-13(7-3-9)10-12-5-8-14-10/h5,8-9H,1-4,6-7,11H2
InChIKeyDEBRIXXQKRWBFO-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.71
Rot. Bonds3

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

2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 22065065) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
PubChem CID22065065
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
SMILESNCCC1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N3S/c11-4-1-9-2-6-13(7-3-9)10-12-5-8-14-10/h5,8-9H,1-4,6-7,11H2
InChIKeyDEBRIXXQKRWBFO-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine (CID 22065065) is 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine is NCCC1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is DEBRIXXQKRWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-4-1-9-2-6-13(7-3-9)10-12-5-8-14-10/h5,8-9H,1-4,6-7,11H2.
What are the key properties of 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine?
2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 22065065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).