3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole

C24H18N12O2S2 — CID 141344336

IUPAC3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole
SMILESc1c[nH]c(C2=C(c3nccs3)S(c3cnon3)(c3cnon3)(c3ccc[nH]3)(c3ncc[nH]3)N=C2c2ccn[nH]2)c1
InChIInChI=1S/C24H18N12O2S2/c1-3-15(25-6-1)20-21(16-5-8-30-33-16)36-40(17-4-2-7-26-17,18-13-31-37-34-18,19-14-32-38-35-19,24-28-9-10-29-24)22(20)23-27-11-12-39-23/h1-14,25-26H,(H,28,29)(H,30,33)
InChIKeyAECDOTWDRHPOJT-UHFFFAOYSA-N
MW570.62 g/mol
LogP4.41
Rot. Bonds7

About 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole

3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole (PubChem CID 141344336) has the molecular formula C24H18N12O2S2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole
PubChem CID141344336
Molecular FormulaC24H18N12O2S2
Molecular Weight570.62 g/mol
Exact Mass570.11
IUPAC Name3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole
SMILESc1c[nH]c(C2=C(c3nccs3)S(c3cnon3)(c3cnon3)(c3ccc[nH]3)(c3ncc[nH]3)N=C2c2ccn[nH]2)c1
InChIInChI=1S/C24H18N12O2S2/c1-3-15(25-6-1)20-21(16-5-8-30-33-16)36-40(17-4-2-7-26-17,18-13-31-37-34-18,19-14-32-38-35-19,24-28-9-10-29-24)22(20)23-27-11-12-39-23/h1-14,25-26H,(H,28,29)(H,30,33)
InChIKeyAECDOTWDRHPOJT-UHFFFAOYSA-N
XLogP4.41
TPSA192.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.62
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole with MolForge

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Related Compounds

2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136210790
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
2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
CID 141056230
2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
CID 141064117
4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole
CID 141120903
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-2-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-(2H-triazol-4-yl)pyrimidin-1-yl]-1,3-thiazole
CID 141121727
2-[5-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]-1,3-thiazole
CID 141121737
2-[1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole
CID 141123569
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 141214750
2-[5-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-3-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)pyrrol-3-yl]-1,3-thiazole
CID 141270589
1-(1H-imidazol-2-yl)-1,4-bis(1H-pyrazol-5-yl)-2,5-bis(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-3H-thiadiazole
CID 141294157
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141303191

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole (CID 141344336) is 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole is c1c[nH]c(C2=C(c3nccs3)S(c3cnon3)(c3cnon3)(c3ccc[nH]3)(c3ncc[nH]3)N=C2c2ccn[nH]2)c1.
What is the InChIKey of 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole?
The InChIKey is AECDOTWDRHPOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N12O2S2/c1-3-15(25-6-1)20-21(16-5-8-30-33-16)36-40(17-4-2-7-26-17,18-13-31-37-34-18,19-14-32-38-35-19,24-28-9-10-29-24)22(20)23-27-11-12-39-23/h1-14,25-26H,(H,28,29)(H,30,33).
What are the key properties of 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole?
3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole has a molecular weight of 570.62 g/mol, XLogP of 4.41, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-2-yl)-1-(1,2,5-oxadiazol-3-yl)-3-(1H-pyrazol-5-yl)-1,4-bis(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-1,2-thiazol-1-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141344336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).