[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

C25H18FN5OS2 — CID 67452959

IUPAC[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(-c3ccccc3F)n2)C1
InChIInChI=1S/C25H18FN5OS2/c26-19-5-2-1-4-18(19)24-27-20(15-34-24)23-29-28-22-14-30(11-12-31(22)23)25(32)17-9-7-16(8-10-17)21-6-3-13-33-21/h1-10,13,15H,11-12,14H2
InChIKeyOYIYNYVNQXREPP-UHFFFAOYSA-N
MW487.59 g/mol
LogP5.59
Rot. Bonds4

About [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 67452959) has the molecular formula C25H18FN5OS2 and a molecular weight of 487.59 g/mol. Its IUPAC name is [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID67452959
Molecular FormulaC25H18FN5OS2
Molecular Weight487.59 g/mol
Exact Mass487.09
IUPAC Name[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(-c3ccccc3F)n2)C1
InChIInChI=1S/C25H18FN5OS2/c26-19-5-2-1-4-18(19)24-27-20(15-34-24)23-29-28-22-14-30(11-12-31(22)23)25(32)17-9-7-16(8-10-17)21-6-3-13-33-21/h1-10,13,15H,11-12,14H2
InChIKeyOYIYNYVNQXREPP-UHFFFAOYSA-N
XLogP5.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (CID 67452959) is [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2csc(-c3ccccc3F)n2)C1.
What is the InChIKey of [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is OYIYNYVNQXREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5OS2/c26-19-5-2-1-4-18(19)24-27-20(15-34-24)23-29-28-22-14-30(11-12-31(22)23)25(32)17-9-7-16(8-10-17)21-6-3-13-33-21/h1-10,13,15H,11-12,14H2.
What are the key properties of [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
[3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 487.59 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 67452959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).