2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide

C14H8ClFN2O2S2 — CID 2810150

IUPAC2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESCc1csc2c(=O)sc(NC(=O)c3ccc(F)cc3Cl)nc12
InChIInChI=1S/C14H8ClFN2O2S2/c1-6-5-21-11-10(6)17-14(22-13(11)20)18-12(19)8-3-2-7(16)4-9(8)15/h2-5H,1H3,(H,17,18,19)
InChIKeySGIZZLZJYPTXBV-UHFFFAOYSA-N
MW354.82 g/mol
LogP4.07
Rot. Bonds2

About 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide

2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (PubChem CID 2810150) has the molecular formula C14H8ClFN2O2S2 and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
PubChem CID2810150
Molecular FormulaC14H8ClFN2O2S2
Molecular Weight354.82 g/mol
Exact Mass353.97
IUPAC Name2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
SMILESCc1csc2c(=O)sc(NC(=O)c3ccc(F)cc3Cl)nc12
InChIInChI=1S/C14H8ClFN2O2S2/c1-6-5-21-11-10(6)17-14(22-13(11)20)18-12(19)8-3-2-7(16)4-9(8)15/h2-5H,1H3,(H,17,18,19)
InChIKeySGIZZLZJYPTXBV-UHFFFAOYSA-N
XLogP4.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 54.07
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-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide (CID 2810150) is 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is Cc1csc2c(=O)sc(NC(=O)c3ccc(F)cc3Cl)nc12.
What is the InChIKey of 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
The InChIKey is SGIZZLZJYPTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2S2/c1-6-5-21-11-10(6)17-14(22-13(11)20)18-12(19)8-3-2-7(16)4-9(8)15/h2-5H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide?
2-chloro-4-fluoro-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide has a molecular weight of 354.82 g/mol, XLogP of 4.07, 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-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide is sourced from PubChem (CID 2810150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).