2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide

C16H27N3OS — CID 48593636

IUPAC2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCCN2CCCC(C)C2)s1
InChIInChI=1S/C16H27N3OS/c1-3-15-18-11-14(21-15)16(20)17-8-4-5-9-19-10-6-7-13(2)12-19/h11,13H,3-10,12H2,1-2H3,(H,17,20)
InChIKeyPXNBJRZCVNBESJ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.95
Rot. Bonds7

About 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide (PubChem CID 48593636) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide
PubChem CID48593636
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCCN2CCCC(C)C2)s1
InChIInChI=1S/C16H27N3OS/c1-3-15-18-11-14(21-15)16(20)17-8-4-5-9-19-10-6-7-13(2)12-19/h11,13H,3-10,12H2,1-2H3,(H,17,20)
InChIKeyPXNBJRZCVNBESJ-UHFFFAOYSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.95
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-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide (CID 48593636) is 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCCCN2CCCC(C)C2)s1.
What is the InChIKey of 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PXNBJRZCVNBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-15-18-11-14(21-15)16(20)17-8-4-5-9-19-10-6-7-13(2)12-19/h11,13H,3-10,12H2,1-2H3,(H,17,20).
What are the key properties of 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48593636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).