N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide

C21H23N3O3S — CID 126816767

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)(c2ccccc2)C1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C21H23N3O3S/c25-15-21(16-6-2-1-3-7-16)9-5-10-24(14-21)12-19(26)23-20-22-17(13-28-20)18-8-4-11-27-18/h1-4,6-8,11,13,25H,5,9-10,12,14-15H2,(H,22,23,26)
InChIKeyYDJBDVVQTOATHL-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.37
Rot. Bonds6

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

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide (PubChem CID 126816767) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide
PubChem CID126816767
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)(c2ccccc2)C1)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C21H23N3O3S/c25-15-21(16-6-2-1-3-7-16)9-5-10-24(14-21)12-19(26)23-20-22-17(13-28-20)18-8-4-11-27-18/h1-4,6-8,11,13,25H,5,9-10,12,14-15H2,(H,22,23,26)
InChIKeyYDJBDVVQTOATHL-UHFFFAOYSA-N
XLogP3.37
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide (CID 126816767) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide is O=C(CN1CCCC(CO)(c2ccccc2)C1)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is YDJBDVVQTOATHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-15-21(16-6-2-1-3-7-16)9-5-10-24(14-21)12-19(26)23-20-22-17(13-28-20)18-8-4-11-27-18/h1-4,6-8,11,13,25H,5,9-10,12,14-15H2,(H,22,23,26).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(hydroxymethyl)-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 126816767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).