2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole

C11H18N2S — CID 114510643

IUPAC2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
SMILESCCC1CNCCC1Cc1nccs1
InChIInChI=1S/C11H18N2S/c1-2-9-8-12-4-3-10(9)7-11-13-5-6-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyGIWICJONIWGRQJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.32
Rot. Bonds3

About 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole

2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole (PubChem CID 114510643) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
PubChem CID114510643
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
SMILESCCC1CNCCC1Cc1nccs1
InChIInChI=1S/C11H18N2S/c1-2-9-8-12-4-3-10(9)7-11-13-5-6-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKeyGIWICJONIWGRQJ-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole (CID 114510643) is 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole is CCC1CNCCC1Cc1nccs1.
What is the InChIKey of 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole?
The InChIKey is GIWICJONIWGRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-9-8-12-4-3-10(9)7-11-13-5-6-14-11/h5-6,9-10,12H,2-4,7-8H2,1H3.
What are the key properties of 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole?
2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 114510643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).