N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide

C18H12N2O2S — CID 960347

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C18H12N2O2S/c21-17(15-5-3-11-22-15)19-13-9-7-12(8-10-13)18-20-14-4-1-2-6-16(14)23-18/h1-11H,(H,19,21)
InChIKeyUAQLNYTYDBOZRG-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.81
Rot. Bonds3

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

N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 960347) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID960347
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C18H12N2O2S/c21-17(15-5-3-11-22-15)19-13-9-7-12(8-10-13)18-20-14-4-1-2-6-16(14)23-18/h1-11H,(H,19,21)
InChIKeyUAQLNYTYDBOZRG-UHFFFAOYSA-N
XLogP4.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 876030
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,4-difluorobenzamide
CID 26173797
N-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23098492
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
CID 155808483
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (CID 960347) is N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is UAQLNYTYDBOZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17(15-5-3-11-22-15)19-13-9-7-12(8-10-13)18-20-14-4-1-2-6-16(14)23-18/h1-11H,(H,19,21).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 960347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).