4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole

C20H16FN5S — CID 67452870

IUPAC4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole
SMILESFc1ccc(C2NCCn3c(-c4csc(-c5ccccc5)n4)nnc32)cc1
InChIInChI=1S/C20H16FN5S/c21-15-8-6-13(7-9-15)17-19-25-24-18(26(19)11-10-22-17)16-12-27-20(23-16)14-4-2-1-3-5-14/h1-9,12,17,22H,10-11H2
InChIKeyBCGUWFVXWITQRP-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.90
Rot. Bonds3

About 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole

4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 67452870) has the molecular formula C20H16FN5S and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole
PubChem CID67452870
Molecular FormulaC20H16FN5S
Molecular Weight377.45 g/mol
Exact Mass377.11
IUPAC Name4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole
SMILESFc1ccc(C2NCCn3c(-c4csc(-c5ccccc5)n4)nnc32)cc1
InChIInChI=1S/C20H16FN5S/c21-15-8-6-13(7-9-15)17-19-25-24-18(26(19)11-10-22-17)16-12-27-20(23-16)14-4-2-1-3-5-14/h1-9,12,17,22H,10-11H2
InChIKeyBCGUWFVXWITQRP-UHFFFAOYSA-N
XLogP3.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole (CID 67452870) is 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole is Fc1ccc(C2NCCn3c(-c4csc(-c5ccccc5)n4)nnc32)cc1.
What is the InChIKey of 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is BCGUWFVXWITQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5S/c21-15-8-6-13(7-9-15)17-19-25-24-18(26(19)11-10-22-17)16-12-27-20(23-16)14-4-2-1-3-5-14/h1-9,12,17,22H,10-11H2.
What are the key properties of 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole?
4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 377.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 67452870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).