1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone

C21H21N3O3S — CID 44581369

IUPAC1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)
InChIKeyIOGXGBJVAXMMAH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 44581369) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID44581369
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23)
InChIKeyIOGXGBJVAXMMAH-UHFFFAOYSA-N
XLogP4.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone (CID 44581369) is 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1.
What is the InChIKey of 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is IOGXGBJVAXMMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14(25)24-11-9-16(10-12-24)22-21-23-18(17-8-5-13-27-17)20(28-21)19(26)15-6-3-2-4-7-15/h2-8,13,16H,9-12H2,1H3,(H,22,23).
What are the key properties of 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 395.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 44581369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).