1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole

C22H26N14O2S2 — CID 158531802

IUPAC1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);2*1-2H
InChIKeyHNLSGSZSTZZZCG-UHFFFAOYSA-N
MW582.68 g/mol
LogP4.06
Rot. Bonds

About 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole

1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole (PubChem CID 158531802) has the molecular formula C22H26N14O2S2 and a molecular weight of 582.68 g/mol. Its IUPAC name is 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
PubChem CID158531802
Molecular FormulaC22H26N14O2S2
Molecular Weight582.68 g/mol
Exact Mass582.18
IUPAC Name1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);2*1-2H
InChIKeyHNLSGSZSTZZZCG-UHFFFAOYSA-N
XLogP4.06
TPSA218.34 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.68
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole with MolForge

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Related Compounds

1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68753727
1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole
CID 69716711
4-[3-(1,3-oxazol-2-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)tetrazolidin-1-yl]oxadiazole
CID 91433419
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-5-(5-thiophen-2-yl-2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
CID 141050956
4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)triazol-1-yl]oxadiazole
CID 141328714
2-N-[(1H-imidazol-2-ylamino)-[4-(1H-pyrrol-2-ylamino)-1H-pyrazol-3-yl]amino]-4-N-(1H-tetrazol-5-yl)-2-N-(1,3-thiazol-2-ylamino)-5-N-(1H-triazol-4-yl)-1,3-oxazole-2,4,5-triamine
CID 152525851
1H-imidazole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;tris(1H-1,2,4-triazole);bis(2H-triazole)
CID 157414668
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
bis(1H-imidazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
CID 157469824
2,2-dimethylpropane;nonakis(2-methylpropane);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157616239
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157676733
1H-imidazole;1,3-oxazole;1H-pyrrole;1,3-thiazole
CID 157741645

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole?
The IUPAC name of 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole (CID 158531802) is 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole?
The canonical SMILES for 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole is c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole?
The InChIKey is HNLSGSZSTZZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3.C2H2N2O.C2H2N2S/c1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-2-5-4-1;2*1-3-4-2-5-1/h1-5H;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);2*1-2H.
What are the key properties of 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole?
1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole has a molecular weight of 582.68 g/mol, XLogP of 4.06, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 158531802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).