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

C16H13N3O4S3 — CID 54697640

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

4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (PubChem CID 54697640) has the molecular formula C16H13N3O4S3 and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
• PubChem CID: 54697640
• Molecular Formula: C16H13N3O4S3
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.01
• IUPAC Name: 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
• SMILES: Cc1csc(NC(=O)C2=C(O)c3sc4ccccc4c3S(=O)(=O)N2C)n1
• InChI: InChI=1S/C16H13N3O4S3/c1-8-7-24-16(17-8)18-15(21)11-12(20)13-14(26(22,23)19(11)2)9-5-3-4-6-10(9)25-13/h3-7,20H,1-2H3,(H,17,18,21)
• InChIKey: QJMHVDFPNLIDNQ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 99.60 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	407.50
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (CID 54697640) is 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

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

The canonical SMILES for 4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is Cc1csc(NC(=O)C2=C(O)c3sc4ccccc4c3S(=O)(=O)N2C)n1.

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

The InChIKey is QJMHVDFPNLIDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S3/c1-8-7-24-16(17-8)18-15(21)11-12(20)13-14(26(22,23)19(11)2)9-5-3-4-6-10(9)25-13/h3-7,20H,1-2H3,(H,17,18,21).

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

4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.17, 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-N-(4-methyl-1,3-thiazol-2-yl)-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54697640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).