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

C24H18N6OS2 — CID 67452572

IUPAC[3-(2-pyridin-2-yl-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(-c3ccccn3)n2)C1
InChIInChI=1S/C24H18N6OS2/c31-24(17-8-6-16(7-9-17)20-5-3-13-32-20)29-11-12-30-21(14-29)27-28-22(30)19-15-33-23(26-19)18-4-1-2-10-25-18/h1-10,13,15H,11-12,14H2
InChIKeyACWZAEKEYJXLQP-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.85
Rot. Bonds4

About [3-(2-pyridin-2-yl-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-pyridin-2-yl-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 67452572) has the molecular formula C24H18N6OS2 and a molecular weight of 470.58 g/mol. Its IUPAC name is [3-(2-pyridin-2-yl-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-pyridin-2-yl-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 CID67452572
Molecular FormulaC24H18N6OS2
Molecular Weight470.58 g/mol
Exact Mass470.10
IUPAC Name[3-(2-pyridin-2-yl-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(-c3ccccn3)n2)C1
InChIInChI=1S/C24H18N6OS2/c31-24(17-8-6-16(7-9-17)20-5-3-13-32-20)29-11-12-30-21(14-29)27-28-22(30)19-15-33-23(26-19)18-4-1-2-10-25-18/h1-10,13,15H,11-12,14H2
InChIKeyACWZAEKEYJXLQP-UHFFFAOYSA-N
XLogP4.85
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(2-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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 67452572) is [3-(2-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-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(-c3ccccn3)n2)C1.
What is the InChIKey of [3-(2-pyridin-2-yl-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 ACWZAEKEYJXLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS2/c31-24(17-8-6-16(7-9-17)20-5-3-13-32-20)29-11-12-30-21(14-29)27-28-22(30)19-15-33-23(26-19)18-4-1-2-10-25-18/h1-10,13,15H,11-12,14H2.
What are the key properties of [3-(2-pyridin-2-yl-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-pyridin-2-yl-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 470.58 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-pyridin-2-yl-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 67452572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).