1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

C15H24N4O2S — CID 71867683

IUPAC1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCCc1cnc(CCNC(=O)N2CCCC(C(=O)NC)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-12-9-18-13(22-12)6-7-17-15(21)19-8-4-5-11(10-19)14(20)16-2/h9,11H,3-8,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZYBZAINEBSGNOU-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.42
Rot. Bonds5

About 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 71867683) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID71867683
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCCc1cnc(CCNC(=O)N2CCCC(C(=O)NC)C2)s1
InChIInChI=1S/C15H24N4O2S/c1-3-12-9-18-13(22-12)6-7-17-15(21)19-8-4-5-11(10-19)14(20)16-2/h9,11H,3-8,10H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyZYBZAINEBSGNOU-UHFFFAOYSA-N
XLogP1.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (CID 71867683) is 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is CCc1cnc(CCNC(=O)N2CCCC(C(=O)NC)C2)s1.
What is the InChIKey of 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is ZYBZAINEBSGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-12-9-18-13(22-12)6-7-17-15(21)19-8-4-5-11(10-19)14(20)16-2/h9,11H,3-8,10H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 71867683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).