8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C15H9F3N6OS — CID 66583433

IUPAC8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3c(-c4cncs4)nccn3n2)cc1
InChIInChI=1S/C15H9F3N6OS/c16-15(17,18)25-10-3-1-9(2-4-10)21-14-22-13-12(11-7-19-8-26-11)20-5-6-24(13)23-14/h1-8H,(H,21,23)
InChIKeyDYNDQBSKUCJIFH-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.89
Rot. Bonds4

About 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 66583433) has the molecular formula C15H9F3N6OS and a molecular weight of 378.34 g/mol. Its IUPAC name is 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID66583433
Molecular FormulaC15H9F3N6OS
Molecular Weight378.34 g/mol
Exact Mass378.05
IUPAC Name8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc3c(-c4cncs4)nccn3n2)cc1
InChIInChI=1S/C15H9F3N6OS/c16-15(17,18)25-10-3-1-9(2-4-10)21-14-22-13-12(11-7-19-8-26-11)20-5-6-24(13)23-14/h1-8H,(H,21,23)
InChIKeyDYNDQBSKUCJIFH-UHFFFAOYSA-N
XLogP3.89
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 66583433) is 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is FC(F)(F)Oc1ccc(Nc2nc3c(-c4cncs4)nccn3n2)cc1.
What is the InChIKey of 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is DYNDQBSKUCJIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N6OS/c16-15(17,18)25-10-3-1-9(2-4-10)21-14-22-13-12(11-7-19-8-26-11)20-5-6-24(13)23-14/h1-8H,(H,21,23).
What are the key properties of 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 378.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 66583433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).