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

C21H14Cl2FN5OS — CID 53482154

IUPAC[3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(-c3cccc(Cl)c3Cl)n2)C1
InChIInChI=1S/C21H14Cl2FN5OS/c22-15-3-1-2-14(18(15)23)20-25-16(11-31-20)19-27-26-17-10-28(8-9-29(17)19)21(30)12-4-6-13(24)7-5-12/h1-7,11H,8-10H2
InChIKeyUNIUZEWHIXQDOP-UHFFFAOYSA-N
MW474.35 g/mol
LogP5.17
Rot. Bonds3

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

[3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (PubChem CID 53482154) has the molecular formula C21H14Cl2FN5OS and a molecular weight of 474.35 g/mol. Its IUPAC name is [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
PubChem CID53482154
Molecular FormulaC21H14Cl2FN5OS
Molecular Weight474.35 g/mol
Exact Mass473.03
IUPAC Name[3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(-c3cccc(Cl)c3Cl)n2)C1
InChIInChI=1S/C21H14Cl2FN5OS/c22-15-3-1-2-14(18(15)23)20-25-16(11-31-20)19-27-26-17-10-28(8-9-29(17)19)21(30)12-4-6-13(24)7-5-12/h1-7,11H,8-10H2
InChIKeyUNIUZEWHIXQDOP-UHFFFAOYSA-N
XLogP5.17
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (CID 53482154) is [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCn2c(nnc2-c2csc(-c3cccc(Cl)c3Cl)n2)C1.
What is the InChIKey of [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The InChIKey is UNIUZEWHIXQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN5OS/c22-15-3-1-2-14(18(15)23)20-25-16(11-31-20)19-27-26-17-10-28(8-9-29(17)19)21(30)12-4-6-13(24)7-5-12/h1-7,11H,8-10H2.
What are the key properties of [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
[3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone has a molecular weight of 474.35 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 53482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).