N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H13FN2S — CID 12623055

IUPACN-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccc(CNC2=NCCCS2)cc1
InChIInChI=1S/C11H13FN2S/c12-10-4-2-9(3-5-10)8-14-11-13-6-1-7-15-11/h2-5H,1,6-8H2,(H,13,14)
InChIKeyXQDVGTDGGOEPOP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.41
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 12623055) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID12623055
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC NameN-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccc(CNC2=NCCCS2)cc1
InChIInChI=1S/C11H13FN2S/c12-10-4-2-9(3-5-10)8-14-11-13-6-1-7-15-11/h2-5H,1,6-8H2,(H,13,14)
InChIKeyXQDVGTDGGOEPOP-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 12623055) is N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1ccc(CNC2=NCCCS2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XQDVGTDGGOEPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c12-10-4-2-9(3-5-10)8-14-11-13-6-1-7-15-11/h2-5H,1,6-8H2,(H,13,14).
What are the key properties of N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 12623055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).