5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole

C16H21N3OS — CID 171702160

IUPAC5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESCc1cccc(OCC2CCN(c3ncc(C)s3)CC2)n1
InChIInChI=1S/C16H21N3OS/c1-12-4-3-5-15(18-12)20-11-14-6-8-19(9-7-14)16-17-10-13(2)21-16/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyPVPPXGRJAGMQJR-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole

5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole (PubChem CID 171702160) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole
PubChem CID171702160
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole
SMILESCc1cccc(OCC2CCN(c3ncc(C)s3)CC2)n1
InChIInChI=1S/C16H21N3OS/c1-12-4-3-5-15(18-12)20-11-14-6-8-19(9-7-14)16-17-10-13(2)21-16/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyPVPPXGRJAGMQJR-UHFFFAOYSA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole (CID 171702160) is 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole is Cc1cccc(OCC2CCN(c3ncc(C)s3)CC2)n1.
What is the InChIKey of 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is PVPPXGRJAGMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-4-3-5-15(18-12)20-11-14-6-8-19(9-7-14)16-17-10-13(2)21-16/h3-5,10,14H,6-9,11H2,1-2H3.
What are the key properties of 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole?
5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 171702160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).