2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone

C10H13ClN2OS — CID 2512693

IUPAC2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(CCl)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C10H13ClN2OS/c11-6-8(14)9-7-12-10(15-9)13-4-2-1-3-5-13/h7H,1-6H2
InChIKeyIPYQAOGETYUVCW-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone

2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 2512693) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID2512693
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(CCl)c1cnc(N2CCCCC2)s1
InChIInChI=1S/C10H13ClN2OS/c11-6-8(14)9-7-12-10(15-9)13-4-2-1-3-5-13/h7H,1-6H2
InChIKeyIPYQAOGETYUVCW-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.55
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-5-yl)ethanone?
The IUPAC name of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone (CID 2512693) is 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone is O=C(CCl)c1cnc(N2CCCCC2)s1.
What is the InChIKey of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is IPYQAOGETYUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-6-8(14)9-7-12-10(15-9)13-4-2-1-3-5-13/h7H,1-6H2.
What are the key properties of 2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone?
2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 244.75 g/mol, XLogP of 2.55, 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-5-yl)ethanone is sourced from PubChem (CID 2512693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).