7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine

C13H13FN2OS — CID 53251360

IUPAC7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine
SMILESC=C1SC(N)=NC2(c3ccccc3F)COCC12
InChIInChI=1S/C13H13FN2OS/c1-8-10-6-17-7-13(10,16-12(15)18-8)9-4-2-3-5-11(9)14/h2-5,10H,1,6-7H2,(H2,15,16)
InChIKeyLJXUAAPRGDYTMB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.24
Rot. Bonds1

About 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine

7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine (PubChem CID 53251360) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine
PubChem CID53251360
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine
SMILESC=C1SC(N)=NC2(c3ccccc3F)COCC12
InChIInChI=1S/C13H13FN2OS/c1-8-10-6-17-7-13(10,16-12(15)18-8)9-4-2-3-5-11(9)14/h2-5,10H,1,6-7H2,(H2,15,16)
InChIKeyLJXUAAPRGDYTMB-UHFFFAOYSA-N
XLogP2.24
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine (CID 53251360) is 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine is C=C1SC(N)=NC2(c3ccccc3F)COCC12.
What is the InChIKey of 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine?
The InChIKey is LJXUAAPRGDYTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-10-6-17-7-13(10,16-12(15)18-8)9-4-2-3-5-11(9)14/h2-5,10H,1,6-7H2,(H2,15,16).
What are the key properties of 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine?
7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine has a molecular weight of 264.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(2-fluorophenyl)-4-methylidene-5,7-dihydro-4aH-furo[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 53251360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).