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

C17H29N3OS — CID 48593730

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCCN2CC(C)CC(C)C2)s1
InChIInChI=1S/C17H29N3OS/c1-4-16-19-10-15(22-16)17(21)18-7-5-6-8-20-11-13(2)9-14(3)12-20/h10,13-14H,4-9,11-12H2,1-3H3,(H,18,21)
InChIKeyKFHCDHYBMKVURU-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.19
Rot. Bonds7

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

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48593730) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48593730
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCCCN2CC(C)CC(C)C2)s1
InChIInChI=1S/C17H29N3OS/c1-4-16-19-10-15(22-16)17(21)18-7-5-6-8-20-11-13(2)9-14(3)12-20/h10,13-14H,4-9,11-12H2,1-3H3,(H,18,21)
InChIKeyKFHCDHYBMKVURU-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.19
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 N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48593730) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCCCN2CC(C)CC(C)C2)s1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is KFHCDHYBMKVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-16-19-10-15(22-16)17(21)18-7-5-6-8-20-11-13(2)9-14(3)12-20/h10,13-14H,4-9,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48593730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).