N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

C20H18F2N2O2S — CID 67478096

IUPACN-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
SMILESO=C(NC1=NC2(c3ccccc3F)COC(CF)C2CS1)c1ccccc1
InChIInChI=1S/C20H18F2N2O2S/c21-10-17-15-11-27-19(23-18(25)13-6-2-1-3-7-13)24-20(15,12-26-17)14-8-4-5-9-16(14)22/h1-9,15,17H,10-12H2,(H,23,24,25)
InChIKeyREXXOBUFSOMSTI-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.54
Rot. Bonds3

About N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide

N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide (PubChem CID 67478096) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
PubChem CID67478096
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC NameN-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
SMILESO=C(NC1=NC2(c3ccccc3F)COC(CF)C2CS1)c1ccccc1
InChIInChI=1S/C20H18F2N2O2S/c21-10-17-15-11-27-19(23-18(25)13-6-2-1-3-7-13)24-20(15,12-26-17)14-8-4-5-9-16(14)22/h1-9,15,17H,10-12H2,(H,23,24,25)
InChIKeyREXXOBUFSOMSTI-UHFFFAOYSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The IUPAC name of N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide (CID 67478096) is N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide.
What is the SMILES notation for N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The canonical SMILES for N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide is O=C(NC1=NC2(c3ccccc3F)COC(CF)C2CS1)c1ccccc1.
What is the InChIKey of N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
The InChIKey is REXXOBUFSOMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c21-10-17-15-11-27-19(23-18(25)13-6-2-1-3-7-13)24-20(15,12-26-17)14-8-4-5-9-16(14)22/h1-9,15,17H,10-12H2,(H,23,24,25).
What are the key properties of N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide?
N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(fluoromethyl)-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide is sourced from PubChem (CID 67478096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).