6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid

C14H11N3O6S2 — CID 59810196

IUPAC6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H11N3O6S2/c1-17-10(11(18)12-8(4-5-24-12)25(17,22)23)13(19)16-9-3-2-7(6-15-9)14(20)21/h2-6,18H,1H3,(H,20,21)(H,15,16,19)
InChIKeyNOYWAWZSRZCGPG-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.34
Rot. Bonds3

About 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid

6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 59810196) has the molecular formula C14H11N3O6S2 and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID59810196
Molecular FormulaC14H11N3O6S2
Molecular Weight381.39 g/mol
Exact Mass381.01
IUPAC Name6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2sccc2S1(=O)=O
InChIInChI=1S/C14H11N3O6S2/c1-17-10(11(18)12-8(4-5-24-12)25(17,22)23)13(19)16-9-3-2-7(6-15-9)14(20)21/h2-6,18H,1H3,(H,20,21)(H,15,16,19)
InChIKeyNOYWAWZSRZCGPG-UHFFFAOYSA-N
XLogP1.34
TPSA136.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 59810196) is 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid is CN1C(C(=O)Nc2ccc(C(=O)O)cn2)=C(O)c2sccc2S1(=O)=O.
What is the InChIKey of 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is NOYWAWZSRZCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O6S2/c1-17-10(11(18)12-8(4-5-24-12)25(17,22)23)13(19)16-9-3-2-7(6-15-9)14(20)21/h2-6,18H,1H3,(H,20,21)(H,15,16,19).
What are the key properties of 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 381.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 59810196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).