2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide

C21H20ClN5O2S — CID 55858890

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CC3Sc4ccc(Cl)cc4NC3=O)cn2)n1
InChIInChI=1S/C21H20ClN5O2S/c1-12-7-13(2)27(26-12)19-6-3-14(10-23-19)11-24-20(28)9-18-21(29)25-16-8-15(22)4-5-17(16)30-18/h3-8,10,18H,9,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHFCHVYVKGSISAL-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.66
Rot. Bonds5

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 55858890) has the molecular formula C21H20ClN5O2S and a molecular weight of 441.94 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID55858890
Molecular FormulaC21H20ClN5O2S
Molecular Weight441.94 g/mol
Exact Mass441.10
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CC3Sc4ccc(Cl)cc4NC3=O)cn2)n1
InChIInChI=1S/C21H20ClN5O2S/c1-12-7-13(2)27(26-12)19-6-3-14(10-23-19)11-24-20(28)9-18-21(29)25-16-8-15(22)4-5-17(16)30-18/h3-8,10,18H,9,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHFCHVYVKGSISAL-UHFFFAOYSA-N
XLogP3.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide (CID 55858890) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide is Cc1cc(C)n(-c2ccc(CNC(=O)CC3Sc4ccc(Cl)cc4NC3=O)cn2)n1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is HFCHVYVKGSISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2S/c1-12-7-13(2)27(26-12)19-6-3-14(10-23-19)11-24-20(28)9-18-21(29)25-16-8-15(22)4-5-17(16)30-18/h3-8,10,18H,9,11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 441.94 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).