N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide

C13H8N2O3S — CID 38021197

IUPACN-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccco1
InChIInChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)
InChIKeyNWWYVZZONFRQBA-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.50
Rot. Bonds2

About N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide

N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide (PubChem CID 38021197) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide
PubChem CID38021197
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC NameN-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(=O)c2ccccc2s1)c1ccco1
InChIInChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17)
InChIKeyNWWYVZZONFRQBA-UHFFFAOYSA-N
XLogP2.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide (CID 38021197) is N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide is O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1.
What is the InChIKey of N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide?
The InChIKey is NWWYVZZONFRQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11-8-4-1-2-6-10(8)19-13(14-11)15-12(17)9-5-3-7-18-9/h1-7H,(H,14,15,16,17).
What are the key properties of N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide?
N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1,3-benzothiazin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 38021197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).