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

C13H6ClFN2O2S2 — CID 2810149

IUPAC2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H6ClFN2O2S2/c14-8-5-6(15)1-2-7(8)11(18)17-13-16-9-3-4-20-10(9)12(19)21-13/h1-5H,(H,16,17,18)
InChIKeyORUNDBNCQYLJHJ-UHFFFAOYSA-N
MW340.79 g/mol
LogP3.76
Rot. Bonds2

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

2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (PubChem CID 2810149) has the molecular formula C13H6ClFN2O2S2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
PubChem CID2810149
Molecular FormulaC13H6ClFN2O2S2
Molecular Weight340.79 g/mol
Exact Mass339.95
IUPAC Name2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESO=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H6ClFN2O2S2/c14-8-5-6(15)1-2-7(8)11(18)17-13-16-9-3-4-20-10(9)12(19)21-13/h1-5H,(H,16,17,18)
InChIKeyORUNDBNCQYLJHJ-UHFFFAOYSA-N
XLogP3.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (CID 2810149) is 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The InChIKey is ORUNDBNCQYLJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClFN2O2S2/c14-8-5-6(15)1-2-7(8)11(18)17-13-16-9-3-4-20-10(9)12(19)21-13/h1-5H,(H,16,17,18).
What are the key properties of 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide has a molecular weight of 340.79 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is sourced from PubChem (CID 2810149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).