7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine

C11H9FN6S — CID 650579

IUPAC7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine
SMILES[H]/N=c1\nc(N)nc2n1NC(c1ccc(F)cc1)=CS2
InChIInChI=1S/C11H9FN6S/c12-7-3-1-6(2-4-7)8-5-19-11-16-9(13)15-10(14)18(11)17-8/h1-5,17H,(H3,13,14,15)
InChIKeyKSXPXGDRQOSWRK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.13
Rot. Bonds1

About 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine

7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine (PubChem CID 650579) has the molecular formula C11H9FN6S and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine
PubChem CID650579
Molecular FormulaC11H9FN6S
Molecular Weight276.30 g/mol
Exact Mass276.06
IUPAC Name7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine
SMILES[H]/N=c1\nc(N)nc2n1NC(c1ccc(F)cc1)=CS2
InChIInChI=1S/C11H9FN6S/c12-7-3-1-6(2-4-7)8-5-19-11-16-9(13)15-10(14)18(11)17-8/h1-5,17H,(H3,13,14,15)
InChIKeyKSXPXGDRQOSWRK-UHFFFAOYSA-N
XLogP1.13
TPSA92.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine?
The IUPAC name of 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine (CID 650579) is 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine?
The canonical SMILES for 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine is [H]/N=c1\nc(N)nc2n1NC(c1ccc(F)cc1)=CS2.
What is the InChIKey of 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine?
The InChIKey is KSXPXGDRQOSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6S/c12-7-3-1-6(2-4-7)8-5-19-11-16-9(13)15-10(14)18(11)17-8/h1-5,17H,(H3,13,14,15).
What are the key properties of 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine?
7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-imino-6H-[1,3,5]triazino[2,1-b][1,3,4]thiadiazin-2-amine is sourced from PubChem (CID 650579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).