2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole

C33H32N8O2S2 — CID 141050957

IUPAC2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole
SMILESc1c[nH]c(C2N(c3cccs3)C(c3ccco3)(c3nccs3)N(N3CCc4ccccc43)C2(c2ncco2)N2CCNCC2)c1
InChIInChI=1S/C33H32N8O2S2/c1-2-8-26-24(6-1)11-17-39(26)41-32(27-9-4-20-42-27,31-37-16-23-45-31)40(28-10-5-22-44-28)29(25-7-3-12-35-25)33(41,30-36-15-21-43-30)38-18-13-34-14-19-38/h1-10,12,15-16,20-23,29,34-35H,11,13-14,17-19H2
InChIKeyVCUQRMMUGWITKD-UHFFFAOYSA-N
MW636.81 g/mol
LogP5.61
Rot. Bonds7

About 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole

2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole (PubChem CID 141050957) has the molecular formula C33H32N8O2S2 and a molecular weight of 636.81 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole
PubChem CID141050957
Molecular FormulaC33H32N8O2S2
Molecular Weight636.81 g/mol
Exact Mass636.21
IUPAC Name2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole
SMILESc1c[nH]c(C2N(c3cccs3)C(c3ccco3)(c3nccs3)N(N3CCc4ccccc43)C2(c2ncco2)N2CCNCC2)c1
InChIInChI=1S/C33H32N8O2S2/c1-2-8-26-24(6-1)11-17-39(26)41-32(27-9-4-20-42-27,31-37-16-23-45-31)40(28-10-5-22-44-28)29(25-7-3-12-35-25)33(41,30-36-15-21-43-30)38-18-13-34-14-19-38/h1-10,12,15-16,20-23,29,34-35H,11,13-14,17-19H2
InChIKeyVCUQRMMUGWITKD-UHFFFAOYSA-N
XLogP5.61
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.81
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole (CID 141050957) is 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole is c1c[nH]c(C2N(c3cccs3)C(c3ccco3)(c3nccs3)N(N3CCc4ccccc43)C2(c2ncco2)N2CCNCC2)c1.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole?
The InChIKey is VCUQRMMUGWITKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O2S2/c1-2-8-26-24(6-1)11-17-39(26)41-32(27-9-4-20-42-27,31-37-16-23-45-31)40(28-10-5-22-44-28)29(25-7-3-12-35-25)33(41,30-36-15-21-43-30)38-18-13-34-14-19-38/h1-10,12,15-16,20-23,29,34-35H,11,13-14,17-19H2.
What are the key properties of 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole?
2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole has a molecular weight of 636.81 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141050957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).