1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

C14H24N4S — CID 80552809

IUPAC1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(c1nccs1)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H24N4S/c1-11(14-16-5-9-19-14)18-8-4-13(10-18)17-6-2-12(15)3-7-17/h5,9,11-13H,2-4,6-8,10,15H2,1H3
InChIKeyZFNPPNRQQOOVPA-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80552809) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80552809
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(c1nccs1)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H24N4S/c1-11(14-16-5-9-19-14)18-8-4-13(10-18)17-6-2-12(15)3-7-17/h5,9,11-13H,2-4,6-8,10,15H2,1H3
InChIKeyZFNPPNRQQOOVPA-UHFFFAOYSA-N
XLogP1.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80552809) is 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is CC(c1nccs1)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is ZFNPPNRQQOOVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(14-16-5-9-19-14)18-8-4-13(10-18)17-6-2-12(15)3-7-17/h5,9,11-13H,2-4,6-8,10,15H2,1H3.
What are the key properties of 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80552809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).