7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine

C7H7N3O2S — CID 58429575

IUPAC7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine
SMILESNC1=NS(=O)(=O)Cc2ncccc21
InChIInChI=1S/C7H7N3O2S/c8-7-5-2-1-3-9-6(5)4-13(11,12)10-7/h1-3H,4H2,(H2,8,10)
InChIKeyPXKYNTXXNVSHLB-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.37
Rot. Bonds

About 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine

7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine (PubChem CID 58429575) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine.

Molecular Properties

Compound Name7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine
PubChem CID58429575
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine
SMILESNC1=NS(=O)(=O)Cc2ncccc21
InChIInChI=1S/C7H7N3O2S/c8-7-5-2-1-3-9-6(5)4-13(11,12)10-7/h1-3H,4H2,(H2,8,10)
InChIKeyPXKYNTXXNVSHLB-UHFFFAOYSA-N
XLogP-0.37
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429259
1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-amine
CID 3054010
3-(2-amino-3-pyridinyl)pyridin-2-amine
CID 1236677
5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 15475114
6-amino-6,7-dihydrocyclopenta[b]pyridin-5-one
CID 84649209
2,2-dioxo-5-prop-1-en-2-yl-1H-2λ6,3-benzothiazin-4-amine
CID 58429386
5-(2,3-dihydrofuran-5-yl)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429269
4-amino-2,2-dioxo-1H-2λ6,3-benzothiazine-5-carbaldehyde
CID 159962732
9-amino-5H-[1]benzoxepino[3,4-b]pyridin-11-one
CID 70423319
3-pyridin-2-yl-1,2-benzothiazole 1,1-dioxide
CID 125491611
5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429326
5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429353

Frequently Asked Questions

What is the IUPAC name of 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine?
The IUPAC name of 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine (CID 58429575) is 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine.
What is the SMILES notation for 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine?
The canonical SMILES for 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine is NC1=NS(=O)(=O)Cc2ncccc21.
What is the InChIKey of 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine?
The InChIKey is PXKYNTXXNVSHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-7-5-2-1-3-9-6(5)4-13(11,12)10-7/h1-3H,4H2,(H2,8,10).
What are the key properties of 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine?
7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine has a molecular weight of 197.22 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dioxo-8H-pyrido[3,2-d]thiazin-5-amine is sourced from PubChem (CID 58429575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).