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

C26H30N10O3S — CID 161188806

IUPAC1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cocn1.c1cscn1
InChIInChI=1S/2C4H5N.2C3H4N2.3C3H3NO.C3H3NS/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;4*1-2-5-3-4-1/h2*1-5H;2*1-3H,(H,4,5);4*1-3H
InChIKeyUTLDIZZOEALKPM-UHFFFAOYSA-N
MW562.66 g/mol
LogP6.02
Rot. Bonds

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

1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole (PubChem CID 161188806) has the molecular formula C26H30N10O3S and a molecular weight of 562.66 g/mol. Its IUPAC name is 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole.

Molecular Properties

Compound Name1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole
PubChem CID161188806
Molecular FormulaC26H30N10O3S
Molecular Weight562.66 g/mol
Exact Mass562.22
IUPAC Name1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cocn1.c1cscn1
InChIInChI=1S/2C4H5N.2C3H4N2.3C3H3NO.C3H3NS/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;4*1-2-5-3-4-1/h2*1-5H;2*1-3H,(H,4,5);4*1-3H
InChIKeyUTLDIZZOEALKPM-UHFFFAOYSA-N
XLogP6.02
TPSA179.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.66
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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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-[1-(1H-azepin-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 140991659
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 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole?
The IUPAC name of 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole (CID 161188806) is 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole.
What is the SMILES notation for 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole?
The canonical SMILES for 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole is c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1cn[nH]c1.c1cocn1.c1cocn1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole?
The InChIKey is UTLDIZZOEALKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.2C3H4N2.3C3H3NO.C3H3NS/c2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;4*1-2-5-3-4-1/h2*1-5H;2*1-3H,(H,4,5);4*1-3H.
What are the key properties of 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole?
1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole has a molecular weight of 562.66 g/mol, XLogP of 6.02, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;tris(1,3-oxazole);1H-pyrazole;bis(1H-pyrrole);1,3-thiazole is sourced from PubChem (CID 161188806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).