5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole

C16H21N3OS — CID 163348061

IUPAC5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnccc1OCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyBZWUILRIVRCSRF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.14
Rot. Bonds5

About 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole

5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 163348061) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID163348061
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnccc1OCC1CCN(Cc2cncs2)CC1
InChIInChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyBZWUILRIVRCSRF-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 163348061) is 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cnccc1OCC1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BZWUILRIVRCSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-13-8-17-5-2-16(13)20-11-14-3-6-19(7-4-14)10-15-9-18-12-21-15/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3.
What are the key properties of 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 163348061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).