2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole

C11H17ClN2OS — CID 71640413

IUPAC2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCCC2CCCNC2)s1
InChIInChI=1S/C11H17ClN2OS/c12-11-14-7-10(16-11)8-15-5-3-9-2-1-4-13-6-9/h7,9,13H,1-6,8H2
InChIKeyCOCCZQGYQLLYQR-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.70
Rot. Bonds5

About 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole

2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole (PubChem CID 71640413) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole
PubChem CID71640413
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole
SMILESClc1ncc(COCCC2CCCNC2)s1
InChIInChI=1S/C11H17ClN2OS/c12-11-14-7-10(16-11)8-15-5-3-9-2-1-4-13-6-9/h7,9,13H,1-6,8H2
InChIKeyCOCCZQGYQLLYQR-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole (CID 71640413) is 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole is Clc1ncc(COCCC2CCCNC2)s1.
What is the InChIKey of 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole?
The InChIKey is COCCZQGYQLLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c12-11-14-7-10(16-11)8-15-5-3-9-2-1-4-13-6-9/h7,9,13H,1-6,8H2.
What are the key properties of 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole?
2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole has a molecular weight of 260.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-piperidin-3-ylethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 71640413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).