2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C15H25N3OS — CID 48577125

IUPAC2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCN2CCCC(C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-3-14-17-10-13(20-14)15(19)16-7-5-9-18-8-4-6-12(2)11-18/h10,12H,3-9,11H2,1-2H3,(H,16,19)
InChIKeyOASYLLRFGPJFSJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.56
Rot. Bonds6

About 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 48577125) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID48577125
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCN2CCCC(C)C2)s1
InChIInChI=1S/C15H25N3OS/c1-3-14-17-10-13(20-14)15(19)16-7-5-9-18-8-4-6-12(2)11-18/h10,12H,3-9,11H2,1-2H3,(H,16,19)
InChIKeyOASYLLRFGPJFSJ-UHFFFAOYSA-N
XLogP2.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 48577125) is 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCCN2CCCC(C)C2)s1.
What is the InChIKey of 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OASYLLRFGPJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-14-17-10-13(20-14)15(19)16-7-5-9-18-8-4-6-12(2)11-18/h10,12H,3-9,11H2,1-2H3,(H,16,19).
What are the key properties of 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48577125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).