2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

C16H16N4O2S — CID 72717266

IUPAC2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cs1
InChIInChI=1S/C16H16N4O2S/c1-11-19-14(10-23-11)16(21)20-7-4-13(5-8-20)22-15-12(9-17)3-2-6-18-15/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyGGKRAGQEACWJIF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.40
Rot. Bonds3

About 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 72717266) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID72717266
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cs1
InChIInChI=1S/C16H16N4O2S/c1-11-19-14(10-23-11)16(21)20-7-4-13(5-8-20)22-15-12(9-17)3-2-6-18-15/h2-3,6,10,13H,4-5,7-8H2,1H3
InChIKeyGGKRAGQEACWJIF-UHFFFAOYSA-N
XLogP2.40
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile (CID 72717266) is 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is Cc1nc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cs1.
What is the InChIKey of 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is GGKRAGQEACWJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-19-14(10-23-11)16(21)20-7-4-13(5-8-20)22-15-12(9-17)3-2-6-18-15/h2-3,6,10,13H,4-5,7-8H2,1H3.
What are the key properties of 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 328.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 72717266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).