2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H13N3O2S2 — CID 9106149

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3ccccc3CS2)no1
InChIInChI=1S/C14H13N3O2S2/c1-9-6-12(17-19-9)16-13(18)8-21-14-15-11-5-3-2-4-10(11)7-20-14/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyWYSFWYBSYZCHIM-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.59
Rot. Bonds3

About 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 9106149) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID9106149
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3ccccc3CS2)no1
InChIInChI=1S/C14H13N3O2S2/c1-9-6-12(17-19-9)16-13(18)8-21-14-15-11-5-3-2-4-10(11)7-20-14/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyWYSFWYBSYZCHIM-UHFFFAOYSA-N
XLogP3.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 51087838
3-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-5-methyl-1,2-oxazole
CID 52515518
dimethyl 5-[[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46626843
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7614149
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 845171
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 26550500
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-cycloheptylacetamide
CID 7633482
N-(5-methyl-1,2-oxazol-3-yl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
CID 7549526
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 29240074

Frequently Asked Questions

What is the IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 9106149) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSC2=Nc3ccccc3CS2)no1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is WYSFWYBSYZCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-6-12(17-19-9)16-13(18)8-21-14-15-11-5-3-2-4-10(11)7-20-14/h2-6H,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 9106149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).