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

C16H27N3O2S — CID 51115790

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C16H27N3O2S/c1-13-5-3-8-18(11-13)9-4-7-17-15(20)6-10-19-14(2)12-22-16(19)21/h12-13H,3-11H2,1-2H3,(H,17,20)
InChIKeyXXPIKMNIMMZRIA-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.85
Rot. Bonds7

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

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 51115790) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID51115790
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C16H27N3O2S/c1-13-5-3-8-18(11-13)9-4-7-17-15(20)6-10-19-14(2)12-22-16(19)21/h12-13H,3-11H2,1-2H3,(H,17,20)
InChIKeyXXPIKMNIMMZRIA-UHFFFAOYSA-N
XLogP1.85
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (CID 51115790) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is Cc1csc(=O)n1CCC(=O)NCCCN1CCCC(C)C1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is XXPIKMNIMMZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-13-5-3-8-18(11-13)9-4-7-17-15(20)6-10-19-14(2)12-22-16(19)21/h12-13H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 325.48 g/mol, XLogP of 1.85, 7 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-[3-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 51115790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).