pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene

C36H36N10S4 — CID 161081072

IUPACpyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1cscn1
InChIInChI=1S/3C5H5N.2C4H4N2.C4H4S.3C3H3NS/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;3*1-2-5-3-4-1/h3*1-5H;2*1-4H;1-4H;3*1-3H
InChIKeyUFXNEFJCSBYQMW-UHFFFAOYSA-N
MW737.02 g/mol
LogP9.38
Rot. Bonds

About pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene

pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene (PubChem CID 161081072) has the molecular formula C36H36N10S4 and a molecular weight of 737.02 g/mol. Its IUPAC name is pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene.

Molecular Properties

Compound Namepyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene
PubChem CID161081072
Molecular FormulaC36H36N10S4
Molecular Weight737.02 g/mol
Exact Mass736.20
IUPAC Namepyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene
SMILESc1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1cscn1
InChIInChI=1S/3C5H5N.2C4H4N2.C4H4S.3C3H3NS/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;3*1-2-5-3-4-1/h3*1-5H;2*1-4H;1-4H;3*1-3H
InChIKeyUFXNEFJCSBYQMW-UHFFFAOYSA-N
XLogP9.38
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.02
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine
CID 49838862
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
Methane;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157150242
1,3-Benzothiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157490741
Bis(pyrazolo[1,5-a][1,3,5]triazine);bis(pyrazolo[1,5-b][1,2,4]triazine);bis(pyrazolo[1,5-c]triazine);bis(pyrazolo[5,1-c][1,2,4]triazine);bis(pyrazolo[1,5-d][1,2,4]triazine);bis(pyrazolo[5,1-f][1,2,4]triazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[5,4-c]pyridazine;[1,3]thiazolo[4,5-d]pyridazine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a][1,3,5]triazine;[1,2,4]triazolo[1,5-b][1,2,4]triazine;[1,2,4]triazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-d][1,2,4]triazine;[1,2,4]triazolo[5,1-f][1,2,4]triazine
CID 157556317
2,5-Di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole)
CID 157612081
4-Propan-2-yloxane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 157714703
Ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157734691
ethane;methane;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;toluene
CID 157745000
pentakis(iridium);9-methyl-7-phenyl-8H-purin-8-ide;9-phenyl-7-propan-2-yl-8H-purin-8-ide;7-phenyl-9-pyridin-3-yl-8H-purin-8-ide;7-phenyl-9-pyridin-4-yl-8H-purin-8-ide;7-phenyl-9-thiophen-2-yl-8H-purin-8-ide
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Methane;pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene
CID 157997125
N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 158165236

Frequently Asked Questions

What is the IUPAC name of pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene?
The IUPAC name of pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene (CID 161081072) is pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene.
What is the SMILES notation for pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene?
The canonical SMILES for pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene is c1ccncc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cscn1.c1cscn1.c1cscn1.
What is the InChIKey of pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene?
The InChIKey is UFXNEFJCSBYQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5N.2C4H4N2.C4H4S.3C3H3NS/c3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;3*1-2-5-3-4-1/h3*1-5H;2*1-4H;1-4H;3*1-3H.
What are the key properties of pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene?
pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene has a molecular weight of 737.02 g/mol, XLogP of 9.38, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazine;tris(pyridine);pyrimidine;tris(1,3-thiazole);thiophene is sourced from PubChem (CID 161081072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).