N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine

C16H10FN7S — CID 146550076

IUPACN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine
SMILESFc1cnccc1-c1nnc(Nc2nccs2)nc1-c1cccnc1
InChIInChI=1S/C16H10FN7S/c17-12-9-19-5-3-11(12)14-13(10-2-1-4-18-8-10)21-15(24-23-14)22-16-20-6-7-25-16/h1-9H,(H,20,21,22,24)
InChIKeyGVAYWKHBLARDAS-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.33
Rot. Bonds4

About N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine

N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine (PubChem CID 146550076) has the molecular formula C16H10FN7S and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine
PubChem CID146550076
Molecular FormulaC16H10FN7S
Molecular Weight351.37 g/mol
Exact Mass351.07
IUPAC NameN-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine
SMILESFc1cnccc1-c1nnc(Nc2nccs2)nc1-c1cccnc1
InChIInChI=1S/C16H10FN7S/c17-12-9-19-5-3-11(12)14-13(10-2-1-4-18-8-10)21-15(24-23-14)22-16-20-6-7-25-16/h1-9H,(H,20,21,22,24)
InChIKeyGVAYWKHBLARDAS-UHFFFAOYSA-N
XLogP3.33
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine (CID 146550076) is N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine is Fc1cnccc1-c1nnc(Nc2nccs2)nc1-c1cccnc1.
What is the InChIKey of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is GVAYWKHBLARDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN7S/c17-12-9-19-5-3-11(12)14-13(10-2-1-4-18-8-10)21-15(24-23-14)22-16-20-6-7-25-16/h1-9H,(H,20,21,22,24).
What are the key properties of N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine?
N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 351.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 146550076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).