2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole

C19H11N11S3 — CID 141071917

IUPAC2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole
SMILESc1ccc(C2=NC(c3cnccn3)N(c3csnn3)C(c3ncsn3)=C2c2nncs2)nc1
InChIInChI=1S/C19H11N11S3/c1-2-4-21-11(3-1)15-14(19-27-24-10-31-19)16(17-23-9-33-28-17)30(13-8-32-29-26-13)18(25-15)12-7-20-5-6-22-12/h1-10,18H
InChIKeyVXTORQGUEHCWKE-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.00
Rot. Bonds5

About 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole

2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole (PubChem CID 141071917) has the molecular formula C19H11N11S3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole
PubChem CID141071917
Molecular FormulaC19H11N11S3
Molecular Weight489.58 g/mol
Exact Mass489.04
IUPAC Name2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole
SMILESc1ccc(C2=NC(c3cnccn3)N(c3csnn3)C(c3ncsn3)=C2c2nncs2)nc1
InChIInChI=1S/C19H11N11S3/c1-2-4-21-11(3-1)15-14(19-27-24-10-31-19)16(17-23-9-33-28-17)30(13-8-32-29-26-13)18(25-15)12-7-20-5-6-22-12/h1-10,18H
InChIKeyVXTORQGUEHCWKE-UHFFFAOYSA-N
XLogP3.00
TPSA131.61 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole with MolForge

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Related Compounds

3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-4-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67258734
6-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 3000037
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
US9096589, 8-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250345
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250346
US9096589, 8-Fluoro-2-[(E)-2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252248
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257255
US9670204, 39 N-(6-(4-((1-cyclopropyl-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78428033
4-[4-(1-Phenyl-1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 563929
US9777003, Example 67
CID 118159778
US9777003, Example 69
CID 118159883

Frequently Asked Questions

What is the IUPAC name of 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole (CID 141071917) is 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole is c1ccc(C2=NC(c3cnccn3)N(c3csnn3)C(c3ncsn3)=C2c2nncs2)nc1.
What is the InChIKey of 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole?
The InChIKey is VXTORQGUEHCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N11S3/c1-2-4-21-11(3-1)15-14(19-27-24-10-31-19)16(17-23-9-33-28-17)30(13-8-32-29-26-13)18(25-15)12-7-20-5-6-22-12/h1-10,18H.
What are the key properties of 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole?
2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole has a molecular weight of 489.58 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-pyrazin-2-yl-4-pyridin-2-yl-6-(1,2,4-thiadiazol-3-yl)-1-(thiadiazol-4-yl)-2H-pyrimidin-5-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 141071917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).