N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide

C16H10N2O2S — CID 565816

IUPACN-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1
InChIInChI=1S/C16H10N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-9H,(H,17,18,19)
InChIKeyITSJXNLSSAAKJV-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.29
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide

N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide (PubChem CID 565816) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
PubChem CID565816
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC NameN-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1
InChIInChI=1S/C16H10N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-9H,(H,17,18,19)
InChIKeyITSJXNLSSAAKJV-UHFFFAOYSA-N
XLogP4.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide (CID 565816) is N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide?
The InChIKey is ITSJXNLSSAAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-15(12-6-3-9-20-12)18-16-17-14-11-5-2-1-4-10(11)7-8-13(14)21-16/h1-9H,(H,17,18,19).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide?
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide is sourced from PubChem (CID 565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).