2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole

C11H17ClN2S — CID 130534134

IUPAC2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole
SMILESCC(Cl)CC1CCCCN1c1nccs1
InChIInChI=1S/C11H17ClN2S/c1-9(12)8-10-4-2-3-6-14(10)11-13-5-7-15-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyNVLLBSXXUGKVSA-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.52
Rot. Bonds3

About 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole

2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole (PubChem CID 130534134) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole
PubChem CID130534134
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole
SMILESCC(Cl)CC1CCCCN1c1nccs1
InChIInChI=1S/C11H17ClN2S/c1-9(12)8-10-4-2-3-6-14(10)11-13-5-7-15-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyNVLLBSXXUGKVSA-UHFFFAOYSA-N
XLogP3.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole (CID 130534134) is 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole is CC(Cl)CC1CCCCN1c1nccs1.
What is the InChIKey of 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is NVLLBSXXUGKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-9(12)8-10-4-2-3-6-14(10)11-13-5-7-15-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole?
2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 130534134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).