1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

C17H27N3O3S — CID 49382018

IUPAC1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCC(C(=O)NCCCOC)CC2)s1
InChIInChI=1S/C17H27N3O3S/c1-4-14-19-12(2)15(24-14)17(22)20-9-6-13(7-10-20)16(21)18-8-5-11-23-3/h13H,4-11H2,1-3H3,(H,18,21)
InChIKeySOTCRKHLQXRONV-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.02
Rot. Bonds7

About 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide

1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 49382018) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID49382018
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CCC(C(=O)NCCCOC)CC2)s1
InChIInChI=1S/C17H27N3O3S/c1-4-14-19-12(2)15(24-14)17(22)20-9-6-13(7-10-20)16(21)18-8-5-11-23-3/h13H,4-11H2,1-3H3,(H,18,21)
InChIKeySOTCRKHLQXRONV-UHFFFAOYSA-N
XLogP2.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.02
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 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 49382018) is 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is CCc1nc(C)c(C(=O)N2CCC(C(=O)NCCCOC)CC2)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is SOTCRKHLQXRONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-14-19-12(2)15(24-14)17(22)20-9-6-13(7-10-20)16(21)18-8-5-11-23-3/h13H,4-11H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 49382018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).