N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide

C18H14N4O2S — CID 37015453

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2N1
InChIInChI=1S/C18H14N4O2S/c23-17-11-25-16-7-6-13(8-15(16)21-17)20-18(24)12-9-19-22(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyPXVLFXBSPPGTCP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.17
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 37015453) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID37015453
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C1CSc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2N1
InChIInChI=1S/C18H14N4O2S/c23-17-11-25-16-7-6-13(8-15(16)21-17)20-18(24)12-9-19-22(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,20,24)(H,21,23)
InChIKeyPXVLFXBSPPGTCP-UHFFFAOYSA-N
XLogP3.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide (CID 37015453) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide is O=C1CSc2ccc(NC(=O)c3cnn(-c4ccccc4)c3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PXVLFXBSPPGTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-17-11-25-16-7-6-13(8-15(16)21-17)20-18(24)12-9-19-22(10-12)14-4-2-1-3-5-14/h1-10H,11H2,(H,20,24)(H,21,23).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 37015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).