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

C13H16N4S — CID 73439419

IUPAC2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole
SMILESc1cnc(N2CCCC(Cc3nccs3)C2)nc1
InChIInChI=1S/C13H16N4S/c1-3-11(9-12-14-6-8-18-12)10-17(7-1)13-15-4-2-5-16-13/h2,4-6,8,11H,1,3,7,9-10H2
InChIKeyXHLKKKIMMDRTLD-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.39
Rot. Bonds3

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

2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole (PubChem CID 73439419) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole
PubChem CID73439419
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole
SMILESc1cnc(N2CCCC(Cc3nccs3)C2)nc1
InChIInChI=1S/C13H16N4S/c1-3-11(9-12-14-6-8-18-12)10-17(7-1)13-15-4-2-5-16-13/h2,4-6,8,11H,1,3,7,9-10H2
InChIKeyXHLKKKIMMDRTLD-UHFFFAOYSA-N
XLogP2.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole (CID 73439419) is 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole is c1cnc(N2CCCC(Cc3nccs3)C2)nc1.
What is the InChIKey of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole?
The InChIKey is XHLKKKIMMDRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-11(9-12-14-6-8-18-12)10-17(7-1)13-15-4-2-5-16-13/h2,4-6,8,11H,1,3,7,9-10H2.
What are the key properties of 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole?
2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole has a molecular weight of 260.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 73439419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).