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

C19H11N11S3 — CID 141051023

IUPAC3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole
SMILESc1ccc(C2=NC(c3ncsn3)=C(c3csnn3)N(c3csnn3)C2c2ncccn2)nc1
InChIInChI=1S/C19H11N11S3/c1-2-5-20-11(4-1)14-17(19-21-6-3-7-22-19)30(13-9-32-29-26-13)16(12-8-31-28-25-12)15(24-14)18-23-10-33-27-18/h1-10,17H
InChIKeyFIWRPDZEKLCQPF-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.00
Rot. Bonds5

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

3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole (PubChem CID 141051023) has the molecular formula C19H11N11S3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole
PubChem CID141051023
Molecular FormulaC19H11N11S3
Molecular Weight489.58 g/mol
Exact Mass489.04
IUPAC Name3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole
SMILESc1ccc(C2=NC(c3ncsn3)=C(c3csnn3)N(c3csnn3)C2c2ncccn2)nc1
InChIInChI=1S/C19H11N11S3/c1-2-5-20-11(4-1)14-17(19-21-6-3-7-22-19)30(13-9-32-29-26-13)16(12-8-31-28-25-12)15(24-14)18-23-10-33-27-18/h1-10,17H
InChIKeyFIWRPDZEKLCQPF-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

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Related Compounds

5-(4-Pyridazin-3-ylpyrimidin-2-yl)-4-[2-[3-thiophen-2-yl-5-(1,3,5-triazin-2-yl)pyrazin-2-yl]-1,3-thiazol-4-yl]thiadiazole
CID 54304309
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
3-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(thiadiazol-4-yl)-1H-pyridazin-3-yl]-1,2,4-thiadiazole
CID 141084271
4-[6-pyrazin-2-yl-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-tetrazol-5-yl)-1-(1,2-thiazol-3-yl)pyridazin-3-yl]thiadiazole
CID 141104600
3-(Pyridin-2-yl)-6-(1,2,3-thiadiazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52898929
N,1,3-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70770379
1,3-dimethyl-5-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72863682
1,3-dimethyl-5-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72886987
1,3-dimethyl-5-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272818
1,3-dimethyl-5-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97272819
1,3-dimethyl-5-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97276981
1,3-dimethyl-5-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 97276982

Frequently Asked Questions

What is the IUPAC name of 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole (CID 141051023) is 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole is c1ccc(C2=NC(c3ncsn3)=C(c3csnn3)N(c3csnn3)C2c2ncccn2)nc1.
What is the InChIKey of 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole?
The InChIKey is FIWRPDZEKLCQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N11S3/c1-2-5-20-11(4-1)14-17(19-21-6-3-7-22-19)30(13-9-32-29-26-13)16(12-8-31-28-25-12)15(24-14)18-23-10-33-27-18/h1-10,17H.
What are the key properties of 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole?
3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-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 3-[3-pyridin-2-yl-2-pyrimidin-2-yl-1,6-bis(thiadiazol-4-yl)-2H-pyrazin-5-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 141051023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).