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

C12H15FN2S — CID 29068156

IUPACN-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccccc1CCNC1=NCCCS1
InChIInChI=1S/C12H15FN2S/c13-11-5-2-1-4-10(11)6-8-15-12-14-7-3-9-16-12/h1-2,4-5H,3,6-9H2,(H,14,15)
InChIKeyRQIUNSQTKBWSAB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.45
Rot. Bonds3

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

N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068156) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068156
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccccc1CCNC1=NCCCS1
InChIInChI=1S/C12H15FN2S/c13-11-5-2-1-4-10(11)6-8-15-12-14-7-3-9-16-12/h1-2,4-5H,3,6-9H2,(H,14,15)
InChIKeyRQIUNSQTKBWSAB-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068156) is N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1ccccc1CCNC1=NCCCS1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is RQIUNSQTKBWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-11-5-2-1-4-10(11)6-8-15-12-14-7-3-9-16-12/h1-2,4-5H,3,6-9H2,(H,14,15).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).