1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone

C24H22N4O3S — CID 53131985

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H22N4O3S/c29-22(26-11-13-27(14-12-26)24(30)21-9-5-15-31-21)16-28-10-4-8-20(28)23-25-19(17-32-23)18-6-2-1-3-7-18/h1-10,15,17H,11-14,16H2
InChIKeyUVGOHZHTGYSOEA-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.86
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone (PubChem CID 53131985) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone
PubChem CID53131985
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H22N4O3S/c29-22(26-11-13-27(14-12-26)24(30)21-9-5-15-31-21)16-28-10-4-8-20(28)23-25-19(17-32-23)18-6-2-1-3-7-18/h1-10,15,17H,11-14,16H2
InChIKeyUVGOHZHTGYSOEA-UHFFFAOYSA-N
XLogP3.86
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone (CID 53131985) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone is O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone?
The InChIKey is UVGOHZHTGYSOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-22(26-11-13-27(14-12-26)24(30)21-9-5-15-31-21)16-28-10-4-8-20(28)23-25-19(17-32-23)18-6-2-1-3-7-18/h1-10,15,17H,11-14,16H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone has a molecular weight of 446.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]ethanone is sourced from PubChem (CID 53131985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).