5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide

C20H16N2O2S — CID 93255813

IUPAC5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-13(14-7-3-2-4-8-14)21-19(23)16-11-12-17(24-16)20-22-15-9-5-6-10-18(15)25-20/h2-13H,1H3,(H,21,23)/t13-/m1/s1
InChIKeyMNMKKOSQRNVYRP-CYBMUJFWSA-N
MW348.43 g/mol
LogP5.05
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide (PubChem CID 93255813) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
PubChem CID93255813
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1
InChIInChI=1S/C20H16N2O2S/c1-13(14-7-3-2-4-8-14)21-19(23)16-11-12-17(24-16)20-22-15-9-5-6-10-18(15)25-20/h2-13H,1H3,(H,21,23)/t13-/m1/s1
InChIKeyMNMKKOSQRNVYRP-CYBMUJFWSA-N
XLogP5.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]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-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709407
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100
5-(1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]furan-2-carboxamide
CID 9084323
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-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 4877165
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743912
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743896

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide (CID 93255813) is 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccccc1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is MNMKKOSQRNVYRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13(14-7-3-2-4-8-14)21-19(23)16-11-12-17(24-16)20-22-15-9-5-6-10-18(15)25-20/h2-13H,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 5.05, 4 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-[(1R)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 93255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).