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

C15H11N3O4S3 — CID 54697641

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nccs2)=C(O)c2sc3ccccc3c2S1(=O)=O
InChIInChI=1S/C15H11N3O4S3/c1-18-10(14(20)17-15-16-6-7-23-15)11(19)12-13(25(18,21)22)8-4-2-3-5-9(8)24-12/h2-7,19H,1H3,(H,16,17,20)
InChIKeyNZUMVXBRMBADAJ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.86
Rot. Bonds2

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

4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (PubChem CID 54697641) has the molecular formula C15H11N3O4S3 and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
PubChem CID54697641
Molecular FormulaC15H11N3O4S3
Molecular Weight393.47 g/mol
Exact Mass392.99
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nccs2)=C(O)c2sc3ccccc3c2S1(=O)=O
InChIInChI=1S/C15H11N3O4S3/c1-18-10(14(20)17-15-16-6-7-23-15)11(19)12-13(25(18,21)22)8-4-2-3-5-9(8)24-12/h2-7,19H,1H3,(H,16,17,20)
InChIKeyNZUMVXBRMBADAJ-UHFFFAOYSA-N
XLogP2.86
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (CID 54697641) is 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2nccs2)=C(O)c2sc3ccccc3c2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The InChIKey is NZUMVXBRMBADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S3/c1-18-10(14(20)17-15-16-6-7-23-15)11(19)12-13(25(18,21)22)8-4-2-3-5-9(8)24-12/h2-7,19H,1H3,(H,16,17,20).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.86, 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-(1,3-thiazol-2-yl)-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54697641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).