N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide

C20H12N2O2S — CID 16552316

IUPACN-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc2ncsc2c1
InChIInChI=1S/C20H12N2O2S/c23-20(12-5-7-16-19(9-12)25-11-21-16)22-13-6-8-18-15(10-13)14-3-1-2-4-17(14)24-18/h1-11H,(H,22,23)
InChIKeyRZIVSURJTXGNQZ-UHFFFAOYSA-N
MW344.40 g/mol
LogP5.45
Rot. Bonds2

About N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide

N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 16552316) has the molecular formula C20H12N2O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID16552316
Molecular FormulaC20H12N2O2S
Molecular Weight344.40 g/mol
Exact Mass344.06
IUPAC NameN-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc2ncsc2c1
InChIInChI=1S/C20H12N2O2S/c23-20(12-5-7-16-19(9-12)25-11-21-16)22-13-6-8-18-15(10-13)14-3-1-2-4-17(14)24-18/h1-11H,(H,22,23)
InChIKeyRZIVSURJTXGNQZ-UHFFFAOYSA-N
XLogP5.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide (CID 16552316) is N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc2ncsc2c1.
What is the InChIKey of N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is RZIVSURJTXGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2S/c23-20(12-5-7-16-19(9-12)25-11-21-16)22-13-6-8-18-15(10-13)14-3-1-2-4-17(14)24-18/h1-11H,(H,22,23).
What are the key properties of N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide?
N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 16552316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).