4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole

C15H19N3OS — CID 75424571

IUPAC4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCC2CCN(Cc3cscn3)CC2)nc1
InChIInChI=1S/C15H19N3OS/c1-2-6-16-15(3-1)19-10-13-4-7-18(8-5-13)9-14-11-20-12-17-14/h1-3,6,11-13H,4-5,7-10H2
InChIKeySZRIMAAONRCXMX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.83
Rot. Bonds5

About 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 75424571) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID75424571
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(OCC2CCN(Cc3cscn3)CC2)nc1
InChIInChI=1S/C15H19N3OS/c1-2-6-16-15(3-1)19-10-13-4-7-18(8-5-13)9-14-11-20-12-17-14/h1-3,6,11-13H,4-5,7-10H2
InChIKeySZRIMAAONRCXMX-UHFFFAOYSA-N
XLogP2.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
2-methyl-4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126874266
2-methyl-1-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]propan-2-ol
CID 111543946
2-(4-methylpiperidin-1-yl)-5-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]pyrimidine
CID 46958283
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
CID 118675977
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
(4S,5S)-5-(2-fluorophenoxy)-1-(1,3-thiazol-4-ylmethyl)azepan-4-ol
CID 155987574
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 75424571) is 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1ccc(OCC2CCN(Cc3cscn3)CC2)nc1.
What is the InChIKey of 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SZRIMAAONRCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-6-16-15(3-1)19-10-13-4-7-18(8-5-13)9-14-11-20-12-17-14/h1-3,6,11-13H,4-5,7-10H2.
What are the key properties of 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 75424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).