4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole

C11H18N2OS — CID 120558227

IUPAC4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCCOCc1csc(C2CCNCC2)n1
InChIInChI=1S/C11H18N2OS/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyARLANQDUVCTUIT-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.15
Rot. Bonds4

About 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole

4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 120558227) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID120558227
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCCOCc1csc(C2CCNCC2)n1
InChIInChI=1S/C11H18N2OS/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyARLANQDUVCTUIT-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole (CID 120558227) is 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole is CCOCc1csc(C2CCNCC2)n1.
What is the InChIKey of 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is ARLANQDUVCTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-14-7-10-8-15-11(13-10)9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole?
4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 120558227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).