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

C22H25N3O2S — CID 56569015

IUPAC5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C22H25N3O2S/c1-15(2)9-12-25-13-10-16(11-14-25)23-21(26)18-7-8-19(27-18)22-24-17-5-3-4-6-20(17)28-22/h3-9,16H,10-14H2,1-2H3,(H,23,26)
InChIKeyVYYZFQBTPAWQDO-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.72
Rot. Bonds5

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

5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 56569015) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID56569015
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C22H25N3O2S/c1-15(2)9-12-25-13-10-16(11-14-25)23-21(26)18-7-8-19(27-18)22-24-17-5-3-4-6-20(17)28-22/h3-9,16H,10-14H2,1-2H3,(H,23,26)
InChIKeyVYYZFQBTPAWQDO-UHFFFAOYSA-N
XLogP4.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]furan-2-carboxamide
CID 46476694
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
N-[2-(aminomethyl)cyclohexyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 119611726
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541500
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743934
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-propylpiperazin-1-yl)methanone
CID 4803580
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide (CID 56569015) is 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide is CC(C)=CCN1CCC(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is VYYZFQBTPAWQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15(2)9-12-25-13-10-16(11-14-25)23-21(26)18-7-8-19(27-18)22-24-17-5-3-4-6-20(17)28-22/h3-9,16H,10-14H2,1-2H3,(H,23,26).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.72, 5 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-(3-methylbut-2-enyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 56569015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).