2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane

C18H32N2OS — CID 143779381

IUPAC2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane
SMILESC.CCOCc1csc(C2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N2OS.CH4/c1-2-20-12-15-13-21-17(18-15)14-8-10-19(11-9-14)16-6-4-3-5-7-16;/h13-14,16H,2-12H2,1H3;1H4
InChIKeyFSSKMDGMCUXDEB-UHFFFAOYSA-N
MW324.53 g/mol
LogP4.83
Rot. Bonds5

About 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane

2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane (PubChem CID 143779381) has the molecular formula C18H32N2OS and a molecular weight of 324.53 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane
PubChem CID143779381
Molecular FormulaC18H32N2OS
Molecular Weight324.53 g/mol
Exact Mass324.22
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane
SMILESC.CCOCc1csc(C2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N2OS.CH4/c1-2-20-12-15-13-21-17(18-15)14-8-10-19(11-9-14)16-6-4-3-5-7-16;/h13-14,16H,2-12H2,1H3;1H4
InChIKeyFSSKMDGMCUXDEB-UHFFFAOYSA-N
XLogP4.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane (CID 143779381) is 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane is C.CCOCc1csc(C2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane?
The InChIKey is FSSKMDGMCUXDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS.CH4/c1-2-20-12-15-13-21-17(18-15)14-8-10-19(11-9-14)16-6-4-3-5-7-16;/h13-14,16H,2-12H2,1H3;1H4.
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane?
2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane has a molecular weight of 324.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)-4-(ethoxymethyl)-1,3-thiazole;methane is sourced from PubChem (CID 143779381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).