2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H21N3O3S — CID 11911985

IUPAC2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-2-12-11-20(16(22)14-4-3-8-23-14)7-5-13(12)10-15(21)19-17-18-6-9-24-17/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3,(H,18,19,21)/t12-,13-/m0/s1
InChIKeyJORTXTLGYYEVLG-STQMWFEESA-N
MW347.44 g/mol
LogP3.25
Rot. Bonds5

About 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 11911985) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID11911985
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C17H21N3O3S/c1-2-12-11-20(16(22)14-4-3-8-23-14)7-5-13(12)10-15(21)19-17-18-6-9-24-17/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3,(H,18,19,21)/t12-,13-/m0/s1
InChIKeyJORTXTLGYYEVLG-STQMWFEESA-N
XLogP3.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-phenylacetamide
CID 73138876
2-[(3S,4S)-1-(cyclopropanecarbonyl)-3-ethylpiperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163119144
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 114506827
2-[(3S,4S)-3-ethyl-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 163177193
N-cyclohexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 3705537
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] furan-2-carboxylate
CID 23745766
methyl 2-[1-(furan-2-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264218
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 29410855
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 11911985) is 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CC[C@H]1CN(C(=O)c2ccco2)CC[C@H]1CC(=O)Nc1nccs1.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JORTXTLGYYEVLG-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-12-11-20(16(22)14-4-3-8-23-14)7-5-13(12)10-15(21)19-17-18-6-9-24-17/h3-4,6,8-9,12-13H,2,5,7,10-11H2,1H3,(H,18,19,21)/t12-,13-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11911985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).