2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide

C24H18ClN5O2S — CID 55991295

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H18ClN5O2S/c25-15-10-11-19-18(12-15)27-24(32)20(33-19)13-21(31)26-17-9-5-4-8-16(17)23-28-22(29-30-23)14-6-2-1-3-7-14/h1-12,20H,13H2,(H,26,31)(H,27,32)(H,28,29,30)
InChIKeyDRSZVGCGACIZDG-UHFFFAOYSA-N
MW475.96 g/mol
LogP5.23
Rot. Bonds5

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

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 55991295) has the molecular formula C24H18ClN5O2S and a molecular weight of 475.96 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID55991295
Molecular FormulaC24H18ClN5O2S
Molecular Weight475.96 g/mol
Exact Mass475.09
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H18ClN5O2S/c25-15-10-11-19-18(12-15)27-24(32)20(33-19)13-21(31)26-17-9-5-4-8-16(17)23-28-22(29-30-23)14-6-2-1-3-7-14/h1-12,20H,13H2,(H,26,31)(H,27,32)(H,28,29,30)
InChIKeyDRSZVGCGACIZDG-UHFFFAOYSA-N
XLogP5.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.96
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-6-(5-phenyl-1H-1,2,4-triazol-3-yl)-1,4-benzothiazin-3-one
CID 156871869
6-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-benzothiazin-3-one
CID 156871903
1-(2-chlorophenothiazin-10-yl)-2-[[5-[(E)-2-(4-fluorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16620234
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 154836401
2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 1118766
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 2387943
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2590981
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 4331535
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 16370610
1-(2-chlorophenothiazin-10-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 24385783
1-(2-chlorophenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 24602368
2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124794

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 55991295) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C(CC1Sc2ccc(Cl)cc2NC1=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is DRSZVGCGACIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2S/c25-15-10-11-19-18(12-15)27-24(32)20(33-19)13-21(31)26-17-9-5-4-8-16(17)23-28-22(29-30-23)14-6-2-1-3-7-14/h1-12,20H,13H2,(H,26,31)(H,27,32)(H,28,29,30).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 475.96 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 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-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 55991295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).