2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole

C16H16N6S — CID 167807796

IUPAC2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESc1cnc(C2CCCCN2c2ccnc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H16N6S/c1-2-10-22(12(4-1)14-17-6-3-7-18-14)13-5-8-19-15(21-13)16-20-9-11-23-16/h3,5-9,11-12H,1-2,4,10H2
InChIKeySTMMRHVHZDOBFO-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.12
Rot. Bonds3

About 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole

2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 167807796) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID167807796
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESc1cnc(C2CCCCN2c2ccnc(-c3nccs3)n2)nc1
InChIInChI=1S/C16H16N6S/c1-2-10-22(12(4-1)14-17-6-3-7-18-14)13-5-8-19-15(21-13)16-20-9-11-23-16/h3,5-9,11-12H,1-2,4,10H2
InChIKeySTMMRHVHZDOBFO-UHFFFAOYSA-N
XLogP3.12
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole (CID 167807796) is 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole is c1cnc(C2CCCCN2c2ccnc(-c3nccs3)n2)nc1.
What is the InChIKey of 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is STMMRHVHZDOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-2-10-22(12(4-1)14-17-6-3-7-18-14)13-5-8-19-15(21-13)16-20-9-11-23-16/h3,5-9,11-12H,1-2,4,10H2.
What are the key properties of 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole?
2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 324.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 167807796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).