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

C13H15N3S — CID 62542130

IUPAC2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(C3CCCCN3)n2)nc1
InChIInChI=1S/C13H15N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1,3,5,7,9,11,15H,2,4,6,8H2
InChIKeyYDUOLTIXGCXRIS-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.02
Rot. Bonds2

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

2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole (PubChem CID 62542130) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole
PubChem CID62542130
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(C3CCCCN3)n2)nc1
InChIInChI=1S/C13H15N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1,3,5,7,9,11,15H,2,4,6,8H2
InChIKeyYDUOLTIXGCXRIS-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole (CID 62542130) is 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole is c1ccc(-c2csc(C3CCCCN3)n2)nc1.
What is the InChIKey of 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is YDUOLTIXGCXRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1,3,5,7,9,11,15H,2,4,6,8H2.
What are the key properties of 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole?
2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 245.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 62542130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).