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

C15H25N3O2S — CID 53498283

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN1CCCC(C)C1
InChIInChI=1S/C15H25N3O2S/c1-12-4-3-7-17(10-12)9-6-16-14(19)5-8-18-13(2)11-21-15(18)20/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyVOGGFAHGFGUPBO-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.46
Rot. Bonds6

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

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 53498283) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID53498283
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCN1CCCC(C)C1
InChIInChI=1S/C15H25N3O2S/c1-12-4-3-7-17(10-12)9-6-16-14(19)5-8-18-13(2)11-21-15(18)20/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyVOGGFAHGFGUPBO-UHFFFAOYSA-N
XLogP1.46
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide (CID 53498283) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide is Cc1csc(=O)n1CCC(=O)NCCN1CCCC(C)C1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is VOGGFAHGFGUPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-4-3-7-17(10-12)9-6-16-14(19)5-8-18-13(2)11-21-15(18)20/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 311.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 53498283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).