5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide

C22H25N3O3S — CID 46476694

IUPAC5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)21(27)25-12-10-14(11-13-25)23-19(26)16-8-9-17(28-16)20-24-15-6-4-5-7-18(15)29-20/h4-9,14H,10-13H2,1-3H3,(H,23,26)
InChIKeyAIYBNNPKNHXKDJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.32
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 46476694) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID46476694
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C22H25N3O3S/c1-22(2,3)21(27)25-12-10-14(11-13-25)23-19(26)16-8-9-17(28-16)20-24-15-6-4-5-7-18(15)29-20/h4-9,14H,10-13H2,1-3H3,(H,23,26)
InChIKeyAIYBNNPKNHXKDJ-UHFFFAOYSA-N
XLogP4.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide (CID 46476694) is 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is AIYBNNPKNHXKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-22(2,3)21(27)25-12-10-14(11-13-25)23-19(26)16-8-9-17(28-16)20-24-15-6-4-5-7-18(15)29-20/h4-9,14H,10-13H2,1-3H3,(H,23,26).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 46476694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).