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

C10H13ClN2OS — CID 104680079

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C10H13ClN2OS/c1-7-3-2-4-13(9(7)14)6-8-5-12-10(11)15-8/h5,7H,2-4,6H2,1H3
InChIKeyAPUFDGLUANMRMR-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.56
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one (PubChem CID 104680079) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
PubChem CID104680079
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2cnc(Cl)s2)C1=O
InChIInChI=1S/C10H13ClN2OS/c1-7-3-2-4-13(9(7)14)6-8-5-12-10(11)15-8/h5,7H,2-4,6H2,1H3
InChIKeyAPUFDGLUANMRMR-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.56
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]-3-methylpiperidin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one (CID 104680079) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2cnc(Cl)s2)C1=O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one?
The InChIKey is APUFDGLUANMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7-3-2-4-13(9(7)14)6-8-5-12-10(11)15-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one has a molecular weight of 244.75 g/mol, XLogP of 2.56, 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]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).