2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole

C15H19N3S — CID 118739943

IUPAC2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole
SMILESCc1cccc(CN2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H19N3S/c1-12-4-2-6-14(17-12)11-18-8-3-5-13(10-18)15-16-7-9-19-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3
InChIKeyAKQDPKYZXBLFPV-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole

2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole (PubChem CID 118739943) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole
PubChem CID118739943
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole
SMILESCc1cccc(CN2CCCC(c3nccs3)C2)n1
InChIInChI=1S/C15H19N3S/c1-12-4-2-6-14(17-12)11-18-8-3-5-13(10-18)15-16-7-9-19-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3
InChIKeyAKQDPKYZXBLFPV-UHFFFAOYSA-N
XLogP3.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole (CID 118739943) is 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole is Cc1cccc(CN2CCCC(c3nccs3)C2)n1.
What is the InChIKey of 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole?
The InChIKey is AKQDPKYZXBLFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-12-4-2-6-14(17-12)11-18-8-3-5-13(10-18)15-16-7-9-19-15/h2,4,6-7,9,13H,3,5,8,10-11H2,1H3.
What are the key properties of 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole?
2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 118739943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).