1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one

C9H11ClN2OS — CID 79764349

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H11ClN2OS/c10-9-11-5-7(14-9)6-12-4-2-1-3-8(12)13/h5H,1-4,6H2
InChIKeyOCNBSXSBOIVGSK-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.31
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one

1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one (PubChem CID 79764349) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one
PubChem CID79764349
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H11ClN2OS/c10-9-11-5-7(14-9)6-12-4-2-1-3-8(12)13/h5H,1-4,6H2
InChIKeyOCNBSXSBOIVGSK-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one (CID 79764349) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one is O=C1CCCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one?
The InChIKey is OCNBSXSBOIVGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-9-11-5-7(14-9)6-12-4-2-1-3-8(12)13/h5H,1-4,6H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one has a molecular weight of 230.72 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-one is sourced from PubChem (CID 79764349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).