5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole

C13H21N3S — CID 118472763

IUPAC5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1nc(N2CCCC2)sc1CN1CCCCC1
InChIInChI=1S/C13H21N3S/c1-2-6-15(7-3-1)11-12-10-14-13(17-12)16-8-4-5-9-16/h10H,1-9,11H2
InChIKeySOPNYWRLTZAQII-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.73
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole

5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 118472763) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID118472763
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1nc(N2CCCC2)sc1CN1CCCCC1
InChIInChI=1S/C13H21N3S/c1-2-6-15(7-3-1)11-12-10-14-13(17-12)16-8-4-5-9-16/h10H,1-9,11H2
InChIKeySOPNYWRLTZAQII-UHFFFAOYSA-N
XLogP2.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole (CID 118472763) is 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole is c1nc(N2CCCC2)sc1CN1CCCCC1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is SOPNYWRLTZAQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-6-15(7-3-1)11-12-10-14-13(17-12)16-8-4-5-9-16/h10H,1-9,11H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole?
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 118472763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).