5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide

C21H18N2O2S — CID 55329409

IUPAC5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N2O2S/c24-20(22-14-6-9-15-7-2-1-3-8-15)17-12-13-18(25-17)21-23-16-10-4-5-11-19(16)26-21/h1-5,7-8,10-13H,6,9,14H2,(H,22,24)
InChIKeyYLMDYUQBYLHQJV-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.92
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide (PubChem CID 55329409) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
PubChem CID55329409
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N2O2S/c24-20(22-14-6-9-15-7-2-1-3-8-15)17-12-13-18(25-17)21-23-16-10-4-5-11-19(16)26-21/h1-5,7-8,10-13H,6,9,14H2,(H,22,24)
InChIKeyYLMDYUQBYLHQJV-UHFFFAOYSA-N
XLogP4.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
CID 112767789
5-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 9083262
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
5-(1,3-benzothiazol-2-yl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]furan-2-carboxamide
CID 49067839
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide (CID 55329409) is 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide is O=C(NCCCc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide?
The InChIKey is YLMDYUQBYLHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(22-14-6-9-15-7-2-1-3-8-15)17-12-13-18(25-17)21-23-16-10-4-5-11-19(16)26-21/h1-5,7-8,10-13H,6,9,14H2,(H,22,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide is sourced from PubChem (CID 55329409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).