2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

C17H23N3O3S — CID 111435984

IUPAC2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H23N3O3S/c21-15-2-7-20(8-3-15)6-1-5-18-16(22)10-14-12-24-17(19-14)13-4-9-23-11-13/h4,9,11-12,15,21H,1-3,5-8,10H2,(H,18,22)
InChIKeyNGZJVNKPOJFMEA-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.91
Rot. Bonds7

About 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (PubChem CID 111435984) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
PubChem CID111435984
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
SMILESO=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H23N3O3S/c21-15-2-7-20(8-3-15)6-1-5-18-16(22)10-14-12-24-17(19-14)13-4-9-23-11-13/h4,9,11-12,15,21H,1-3,5-8,10H2,(H,18,22)
InChIKeyNGZJVNKPOJFMEA-UHFFFAOYSA-N
XLogP1.91
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119502086
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
3-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249390
4-[[2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229272
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394025
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484065
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[2-(methylamino)propyl]acetamide;dihydrochloride
CID 120829889
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39084461
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 146149820
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484822
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide (CID 111435984) is 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is O=C(Cc1csc(-c2ccoc2)n1)NCCCN1CCC(O)CC1.
What is the InChIKey of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
The InChIKey is NGZJVNKPOJFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-15-2-7-20(8-3-15)6-1-5-18-16(22)10-14-12-24-17(19-14)13-4-9-23-11-13/h4,9,11-12,15,21H,1-3,5-8,10H2,(H,18,22).
What are the key properties of 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide?
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 111435984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).