2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole

C12H19N3S — CID 15329640

IUPAC2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole
SMILESc1sc(N2CCCCC2)nc1N1CCCC1
InChIInChI=1S/C12H19N3S/c1-2-8-15(9-3-1)12-13-11(10-16-12)14-6-4-5-7-14/h10H,1-9H2
InChIKeyCXPLQSJCIACPNO-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.73
Rot. Bonds2

About 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole

2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 15329640) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole
PubChem CID15329640
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole
SMILESc1sc(N2CCCCC2)nc1N1CCCC1
InChIInChI=1S/C12H19N3S/c1-2-8-15(9-3-1)12-13-11(10-16-12)14-6-4-5-7-14/h10H,1-9H2
InChIKeyCXPLQSJCIACPNO-UHFFFAOYSA-N
XLogP2.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole (CID 15329640) is 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole is c1sc(N2CCCCC2)nc1N1CCCC1.
What is the InChIKey of 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is CXPLQSJCIACPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-8-15(9-3-1)12-13-11(10-16-12)14-6-4-5-7-14/h10H,1-9H2.
What are the key properties of 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole?
2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 15329640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).