N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide

C20H16N2O2S — CID 9361546

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S/c23-19(12-11-14-6-5-13-24-14)21-16-8-2-1-7-15(16)20-22-17-9-3-4-10-18(17)25-20/h1-10,13H,11-12H2,(H,21,23)
InChIKeyIMMANOPWBPCFKT-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.13
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide (PubChem CID 9361546) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
PubChem CID9361546
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S/c23-19(12-11-14-6-5-13-24-14)21-16-8-2-1-7-15(16)20-22-17-9-3-4-10-18(17)25-20/h1-10,13H,11-12H2,(H,21,23)
InChIKeyIMMANOPWBPCFKT-UHFFFAOYSA-N
XLogP5.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137299581
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9117027
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26708481
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
CID 739215
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
N-[N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(furan-2-yl)propanamide
CID 72526954
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 9206111
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16599570
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide (CID 9361546) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide?
The InChIKey is IMMANOPWBPCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19(12-11-14-6-5-13-24-14)21-16-8-2-1-7-15(16)20-22-17-9-3-4-10-18(17)25-20/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 9361546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).