2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride

C10H14Cl2N2OS — CID 122163802

IUPAC2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1csc(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN2OS.ClH/c11-6-9(14)8-7-15-10(12-8)13-4-2-1-3-5-13;/h7H,1-6H2;1H
InChIKeyVZLBWUKWINMHFK-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride

2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride (PubChem CID 122163802) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
PubChem CID122163802
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC Name2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1csc(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN2OS.ClH/c11-6-9(14)8-7-15-10(12-8)13-4-2-1-3-5-13;/h7H,1-6H2;1H
InChIKeyVZLBWUKWINMHFK-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride (CID 122163802) is 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride is Cl.O=C(CCl)c1csc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
The InChIKey is VZLBWUKWINMHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS.ClH/c11-6-9(14)8-7-15-10(12-8)13-4-2-1-3-5-13;/h7H,1-6H2;1H.
What are the key properties of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride?
2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride has a molecular weight of 281.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 122163802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).