1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide

C12H9N3O3S2 — CID 175982069

IUPAC1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1=Cc2ccsc2S(=O)(=O)N1
InChIInChI=1S/C12H9N3O3S2/c16-11(14-10-3-1-2-5-13-10)9-7-8-4-6-19-12(8)20(17,18)15-9/h1-7,15H,(H,13,14,16)
InChIKeyPLTIJZXHRFBITG-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.41
Rot. Bonds2

About 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide

1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide (PubChem CID 175982069) has the molecular formula C12H9N3O3S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide
PubChem CID175982069
Molecular FormulaC12H9N3O3S2
Molecular Weight307.36 g/mol
Exact Mass307.01
IUPAC Name1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1=Cc2ccsc2S(=O)(=O)N1
InChIInChI=1S/C12H9N3O3S2/c16-11(14-10-3-1-2-5-13-10)9-7-8-4-6-19-12(8)20(17,18)15-9/h1-7,15H,(H,13,14,16)
InChIKeyPLTIJZXHRFBITG-UHFFFAOYSA-N
XLogP1.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 67028801
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4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2H-1λ6,2-benzothiazine-3-carboxamide
CID 54719424
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
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CID 3684644
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
N-pyridin-2-yl-1H-pyrrole-2-carboxamide
CID 110691027
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
CID 25343632
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
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4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide (CID 175982069) is 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide is O=C(Nc1ccccn1)C1=Cc2ccsc2S(=O)(=O)N1.
What is the InChIKey of 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide?
The InChIKey is PLTIJZXHRFBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S2/c16-11(14-10-3-1-2-5-13-10)9-7-8-4-6-19-12(8)20(17,18)15-9/h1-7,15H,(H,13,14,16).
What are the key properties of 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide?
1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-pyridin-2-yl-2H-thieno[3,2-e]thiazine-3-carboxamide is sourced from PubChem (CID 175982069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).