4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C12H9FN4S2 — CID 83084823

IUPAC4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C12H9FN4S2/c1-18-12-16-10(15-11(14)17-12)9-4-6-2-3-7(13)5-8(6)19-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyPVEIKJQZOASDOB-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.20
Rot. Bonds2

About 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084823) has the molecular formula C12H9FN4S2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084823
Molecular FormulaC12H9FN4S2
Molecular Weight292.36 g/mol
Exact Mass292.03
IUPAC Name4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C12H9FN4S2/c1-18-12-16-10(15-11(14)17-12)9-4-6-2-3-7(13)5-8(6)19-9/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyPVEIKJQZOASDOB-UHFFFAOYSA-N
XLogP3.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084820
5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 81104224
6-fluoro-1-benzothiophen-2-amine
CID 82597319
3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
CID 83035556
3-(6-fluoro-1-benzothiophen-2-yl)-5-propyl-1H-1,2,4-triazole
CID 81104104
4-(5-iodothiophen-3-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084704
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653
4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 81105153
4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
CID 83084460
4-(4-bromo-2,6-difluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83085029
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81105813
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81106993

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084823) is 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2cc3ccc(F)cc3s2)n1.
What is the InChIKey of 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is PVEIKJQZOASDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4S2/c1-18-12-16-10(15-11(14)17-12)9-4-6-2-3-7(13)5-8(6)19-9/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 292.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-benzothiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).