2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H13ClN6O2S2 — CID 51364823

IUPAC2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1nccs1
InChIInChI=1S/C17H13ClN6O2S2/c18-12-3-1-11(2-4-12)10-28-15-14-22-24(17(26)23(14)7-5-19-15)9-13(25)21-16-20-6-8-27-16/h1-8H,9-10H2,(H,20,21,25)
InChIKeyJNKGTZJETSSJTI-UHFFFAOYSA-N
MW432.92 g/mol
LogP2.93
Rot. Bonds6

About 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 51364823) has the molecular formula C17H13ClN6O2S2 and a molecular weight of 432.92 g/mol. Its IUPAC name is 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID51364823
Molecular FormulaC17H13ClN6O2S2
Molecular Weight432.92 g/mol
Exact Mass432.02
IUPAC Name2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1nccs1
InChIInChI=1S/C17H13ClN6O2S2/c18-12-3-1-11(2-4-12)10-28-15-14-22-24(17(26)23(14)7-5-19-15)9-13(25)21-16-20-6-8-27-16/h1-8H,9-10H2,(H,20,21,25)
InChIKeyJNKGTZJETSSJTI-UHFFFAOYSA-N
XLogP2.93
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 51364823) is 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1nc2c(SCc3ccc(Cl)cc3)nccn2c1=O)Nc1nccs1.
What is the InChIKey of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JNKGTZJETSSJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O2S2/c18-12-3-1-11(2-4-12)10-28-15-14-22-24(17(26)23(14)7-5-19-15)9-13(25)21-16-20-6-8-27-16/h1-8H,9-10H2,(H,20,21,25).
What are the key properties of 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 432.92 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(4-chlorophenyl)methylsulfanyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51364823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).