2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide

C19H15ClN4O2S — CID 55932309

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C19H15ClN4O2S/c20-12-6-7-16-14(10-12)23-19(26)17(27-16)11-18(25)22-13-4-1-2-5-15(13)24-9-3-8-21-24/h1-10,17H,11H2,(H,22,25)(H,23,26)
InChIKeyUEKBAEZWVFGXGG-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.97
Rot. Bonds4

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide (PubChem CID 55932309) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
PubChem CID55932309
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C19H15ClN4O2S/c20-12-6-7-16-14(10-12)23-19(26)17(27-16)11-18(25)22-13-4-1-2-5-15(13)24-9-3-8-21-24/h1-10,17H,11H2,(H,22,25)(H,23,26)
InChIKeyUEKBAEZWVFGXGG-UHFFFAOYSA-N
XLogP3.97
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide (CID 55932309) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide is O=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
The InChIKey is UEKBAEZWVFGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-12-6-7-16-14(10-12)23-19(26)17(27-16)11-18(25)22-13-4-1-2-5-15(13)24-9-3-8-21-24/h1-10,17H,11H2,(H,22,25)(H,23,26).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide has a molecular weight of 398.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 55932309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).