4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide

C16H12N4O4S2 — CID 86737643

About 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (PubChem CID 86737643) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
• PubChem CID: 86737643
• Molecular Formula: C16H12N4O4S2
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.03
• IUPAC Name: 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
• SMILES: CN1C(C(=O)Nc2cnccn2)=C(O)c2sc3ccccc3c2S1(=O)=O
• InChI: InChI=1S/C16H12N4O4S2/c1-20-12(16(22)19-11-8-17-6-7-18-11)13(21)14-15(26(20,23)24)9-4-2-3-5-10(9)25-14/h2-8,21H,1H3,(H,18,19,22)
• InChIKey: RNAGNIKSJSZCDL-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 112.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?

The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (CID 86737643) is 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?

The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2cnccn2)=C(O)c2sc3ccccc3c2S1(=O)=O.

What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?

The InChIKey is RNAGNIKSJSZCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c1-20-12(16(22)19-11-8-17-6-7-18-11)13(21)14-15(26(20,23)24)9-4-2-3-5-10(9)25-14/h2-8,21H,1H3,(H,18,19,22).

What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?

4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-methyl-1,1-dioxo-N-pyrazin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 86737643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).