2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide

C14H23N3O2S — CID 47210086

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C14H23N3O2S/c1-11-3-6-16(7-4-11)8-5-15-13(18)9-17-12(2)10-20-14(17)19/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyRDKLHMZDGIMLDY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.07
Rot. Bonds5

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 47210086) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID47210086
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C14H23N3O2S/c1-11-3-6-16(7-4-11)8-5-15-13(18)9-17-12(2)10-20-14(17)19/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyRDKLHMZDGIMLDY-UHFFFAOYSA-N
XLogP1.07
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide (CID 47210086) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide is Cc1csc(=O)n1CC(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is RDKLHMZDGIMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-3-6-16(7-4-11)8-5-15-13(18)9-17-12(2)10-20-14(17)19/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 47210086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).