4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole

C23H15N13S2 — CID 141042259

IUPAC4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
SMILESc1ccc(C2=C(c3cnccn3)N(c3ccsn3)N(c3csnn3)C(c3ncc[nH]3)=C2c2c[nH]nn2)nc1
InChIInChI=1S/C23H15N13S2/c1-2-5-25-14(3-1)19-20(15-12-29-33-30-15)22(23-27-8-9-28-23)36(18-13-38-34-31-18)35(17-4-10-37-32-17)21(19)16-11-24-6-7-26-16/h1-13H,(H,27,28)(H,29,30,33)
InChIKeyFNGNNTDQEYFJRV-UHFFFAOYSA-N
MW537.60 g/mol
LogP3.40
Rot. Bonds6

About 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole

4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole (PubChem CID 141042259) has the molecular formula C23H15N13S2 and a molecular weight of 537.60 g/mol. Its IUPAC name is 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole.

Molecular Properties

Compound Name4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
PubChem CID141042259
Molecular FormulaC23H15N13S2
Molecular Weight537.60 g/mol
Exact Mass537.10
IUPAC Name4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole
SMILESc1ccc(C2=C(c3cnccn3)N(c3ccsn3)N(c3csnn3)C(c3ncc[nH]3)=C2c2c[nH]nn2)nc1
InChIInChI=1S/C23H15N13S2/c1-2-5-25-14(3-1)19-20(15-12-29-33-30-15)22(23-27-8-9-28-23)36(18-13-38-34-31-18)35(17-4-10-37-32-17)21(19)16-11-24-6-7-26-16/h1-13H,(H,27,28)(H,29,30,33)
InChIKeyFNGNNTDQEYFJRV-UHFFFAOYSA-N
XLogP3.40
TPSA154.07 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.60
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole with MolForge

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Related Compounds

N-[6-methyl-3-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine
CID 70683503
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-[pyridin-2-yl(pyrrolidin-1-yl)methyl]-1,2-thiazol-5-amine
CID 145970381
4-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]thiadiazole
CID 136980266
N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 57691216
4-[5-(4-pyridin-2-yl-1H-imidazol-2-yl)-1H-triazol-4-yl]-3-[5-(1H-tetrazol-5-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-1,2-thiazole
CID 136161780
3-methyl-N-[[3-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,2-thiazol-5-amine
CID 137157142
4-[5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-6-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-4H-triazin-1-yl]oxadiazole
CID 140970517
2-[4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yltriazolidin-1-yl]-1,3-thiazole
CID 141013787
3-[3-[3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)triazol-4-yl]triazol-4-yl]-1,2-thiazole
CID 141021041
4-[2-pyridazin-3-yl-4-pyridin-2-yl-6-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)pyrimidin-5-yl]thiadiazole
CID 141035145
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole?
The IUPAC name of 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole (CID 141042259) is 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole.
What is the SMILES notation for 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole?
The canonical SMILES for 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole is c1ccc(C2=C(c3cnccn3)N(c3ccsn3)N(c3csnn3)C(c3ncc[nH]3)=C2c2c[nH]nn2)nc1.
What is the InChIKey of 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole?
The InChIKey is FNGNNTDQEYFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N13S2/c1-2-5-25-14(3-1)19-20(15-12-29-33-30-15)22(23-27-8-9-28-23)36(18-13-38-34-31-18)35(17-4-10-37-32-17)21(19)16-11-24-6-7-26-16/h1-13H,(H,27,28)(H,29,30,33).
What are the key properties of 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole?
4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole has a molecular weight of 537.60 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-4-pyridin-2-yl-2-(1,2-thiazol-3-yl)-5-(1H-triazol-4-yl)pyridazin-1-yl]thiadiazole is sourced from PubChem (CID 141042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).