bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

C24H29N13O2S — CID 159532986

IUPACbis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESC1=NC=NC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nnco1
InChIInChI=1S/C4H5N.4C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;3*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1,3H,2H2;3*1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyMDFRRPNCFRRBQM-UHFFFAOYSA-N
MW563.65 g/mol
LogP4.23
Rot. Bonds

About bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole

bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (PubChem CID 159532986) has the molecular formula C24H29N13O2S and a molecular weight of 563.65 g/mol. Its IUPAC name is bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Namebis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
PubChem CID159532986
Molecular FormulaC24H29N13O2S
Molecular Weight563.65 g/mol
Exact Mass563.23
IUPAC Namebis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole
SMILESC1=NC=NC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nnco1
InChIInChI=1S/C4H5N.4C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;3*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1,3H,2H2;3*1-3H,(H,4,5);2*1-3H;1-2H
InChIKeyMDFRRPNCFRRBQM-UHFFFAOYSA-N
XLogP4.23
TPSA204.39 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.65
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 157152636
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
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 bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The IUPAC name of bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole (CID 159532986) is bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole.
What is the SMILES notation for bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The canonical SMILES for bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is C1=NC=NC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cscn1.c1nnco1.
What is the InChIKey of bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
The InChIKey is MDFRRPNCFRRBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.4C3H4N2.C3H3NO.C3H3NS.C2H2N2O/c1-2-4-5-3-1;3*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1,3H,2H2;3*1-3H,(H,4,5);2*1-3H;1-2H.
What are the key properties of bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole?
bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole has a molecular weight of 563.65 g/mol, XLogP of 4.23, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);4H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 159532986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).