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

C13H12N4O2S2 — CID 51087838

IUPAC2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CSC2=Nc3ccccc3CS2)n1
InChIInChI=1S/C13H12N4O2S2/c1-8-14-12(19-17-8)16-11(18)7-21-13-15-10-5-3-2-4-9(10)6-20-13/h2-5H,6-7H2,1H3,(H,14,16,17,18)
InChIKeyCSPJXRSPUUFCIL-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.98
Rot. Bonds3

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

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 51087838) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID51087838
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CSC2=Nc3ccccc3CS2)n1
InChIInChI=1S/C13H12N4O2S2/c1-8-14-12(19-17-8)16-11(18)7-21-13-15-10-5-3-2-4-9(10)6-20-13/h2-5H,6-7H2,1H3,(H,14,16,17,18)
InChIKeyCSPJXRSPUUFCIL-UHFFFAOYSA-N
XLogP2.98
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9106149
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-propan-2-ylacetamide
CID 8004897
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 7613653
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 7613662
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3,4-dichlorophenyl)acetamide
CID 7613666
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(cyclopropylmethyl)acetamide
CID 47145612
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 8004950
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46626848
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone
CID 8004922
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-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 51087838) is 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is Cc1noc(NC(=O)CSC2=Nc3ccccc3CS2)n1.
What is the InChIKey of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is CSPJXRSPUUFCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-14-12(19-17-8)16-11(18)7-21-13-15-10-5-3-2-4-9(10)6-20-13/h2-5H,6-7H2,1H3,(H,14,16,17,18).
What are the key properties of 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 51087838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).