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

C12H15FN2S — CID 29068096

IUPACN-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccc(CCNC2=NCCCS2)cc1
InChIInChI=1S/C12H15FN2S/c13-11-4-2-10(3-5-11)6-8-15-12-14-7-1-9-16-12/h2-5H,1,6-9H2,(H,14,15)
InChIKeyICBYLMUYCYZARG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.45
Rot. Bonds3

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

N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 29068096) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID29068096
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1ccc(CCNC2=NCCCS2)cc1
InChIInChI=1S/C12H15FN2S/c13-11-4-2-10(3-5-11)6-8-15-12-14-7-1-9-16-12/h2-5H,1,6-9H2,(H,14,15)
InChIKeyICBYLMUYCYZARG-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-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 29068096) is N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1ccc(CCNC2=NCCCS2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ICBYLMUYCYZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-11-4-2-10(3-5-11)6-8-15-12-14-7-1-9-16-12/h2-5H,1,6-9H2,(H,14,15).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-(4-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-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 29068096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).