5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole

C16H26N2OS — CID 84593956

IUPAC5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C16H26N2OS/c1-13-16(20-12-17-13)11-18-9-7-15(8-10-18)19-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3
InChIKeyOHTWTHWIKZZKKI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.77
Rot. Bonds4

About 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole

5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 84593956) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID84593956
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C16H26N2OS/c1-13-16(20-12-17-13)11-18-9-7-15(8-10-18)19-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3
InChIKeyOHTWTHWIKZZKKI-UHFFFAOYSA-N
XLogP3.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 84593956) is 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is OHTWTHWIKZZKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-16(20-12-17-13)11-18-9-7-15(8-10-18)19-14-5-3-2-4-6-14/h12,14-15H,2-11H2,1H3.
What are the key properties of 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 294.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclohexyloxypiperidin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 84593956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).