2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole

C21H24N4O2S — CID 22678345

IUPAC2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCC(COc2cccnc2-c2nccs2)CC1
InChIInChI=1S/C21H24N4O2S/c1-26-20-17(4-2-9-23-20)14-25-11-6-16(7-12-25)15-27-18-5-3-8-22-19(18)21-24-10-13-28-21/h2-5,8-10,13,16H,6-7,11-12,14-15H2,1H3
InChIKeyKCRMDKIFZWSNSJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.90
Rot. Bonds7

About 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole

2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole (PubChem CID 22678345) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole
PubChem CID22678345
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole
SMILESCOc1ncccc1CN1CCC(COc2cccnc2-c2nccs2)CC1
InChIInChI=1S/C21H24N4O2S/c1-26-20-17(4-2-9-23-20)14-25-11-6-16(7-12-25)15-27-18-5-3-8-22-19(18)21-24-10-13-28-21/h2-5,8-10,13,16H,6-7,11-12,14-15H2,1H3
InChIKeyKCRMDKIFZWSNSJ-UHFFFAOYSA-N
XLogP3.90
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole (CID 22678345) is 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole is COc1ncccc1CN1CCC(COc2cccnc2-c2nccs2)CC1.
What is the InChIKey of 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole?
The InChIKey is KCRMDKIFZWSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-26-20-17(4-2-9-23-20)14-25-11-6-16(7-12-25)15-27-18-5-3-8-22-19(18)21-24-10-13-28-21/h2-5,8-10,13,16H,6-7,11-12,14-15H2,1H3.
What are the key properties of 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole?
2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole has a molecular weight of 396.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]methoxy]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 22678345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).