4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide

C13H7FN2O2S2 — CID 2810153

IUPAC4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1
InChIInChI=1S/C13H7FN2O2S2/c14-8-3-1-7(2-4-8)11(17)16-13-15-9-5-6-19-10(9)12(18)20-13/h1-6H,(H,15,16,17)
InChIKeyLQPMLUBTXKQRMG-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.11
Rot. Bonds2

About 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide

4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (PubChem CID 2810153) has the molecular formula C13H7FN2O2S2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
PubChem CID2810153
Molecular FormulaC13H7FN2O2S2
Molecular Weight306.34 g/mol
Exact Mass305.99
IUPAC Name4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1
InChIInChI=1S/C13H7FN2O2S2/c14-8-3-1-7(2-4-8)11(17)16-13-15-9-5-6-19-10(9)12(18)20-13/h1-6H,(H,15,16,17)
InChIKeyLQPMLUBTXKQRMG-UHFFFAOYSA-N
XLogP3.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (CID 2810153) is 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The InChIKey is LQPMLUBTXKQRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O2S2/c14-8-3-1-7(2-4-8)11(17)16-13-15-9-5-6-19-10(9)12(18)20-13/h1-6H,(H,15,16,17).
What are the key properties of 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide has a molecular weight of 306.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is sourced from PubChem (CID 2810153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).